carbobenzoxyphenylalanine, (dl-phe)-isomer profile

Carbobenzoxyphenylalanine, (dl-phe)-isomer, also known as Z-Phe, is a derivative of the amino acid phenylalanine. It is a protected amino acid, meaning that the amino group (NH2) is blocked by a carbobenzoxy (Z) group. This protection is often used in peptide synthesis to prevent unwanted side reactions. The (dl-phe)-isomer refers to the racemic mixture, containing both L and D enantiomers. Z-Phe is typically synthesized by reacting phenylalanine with benzyl chloroformate in the presence of a base. It is used as an intermediate in the synthesis of peptides and other biologically active compounds. Its importance lies in its ability to act as a building block for complex molecules with potential therapeutic applications.'
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ID Source	ID
PubMed CID	100081
CHEMBL ID	25048
SCHEMBL ID	479010
MeSH ID	M0313330

Synonym
HMS1586D10
nsc 402059
3588-57-6
nsc-333486
nsc333486
OPREA1_877431
nsc-522449
nsc402059
nsc-402059
nsc522449
MLS000112276
smr000108190
z-dl-phe-oh, >=98.0%
n-[(benzyloxy)carbonyl]phenylalanine
STK066065
n-cbz-dl-phenylalanine
z-dl-phe-oh
n-carbobenzoxy-dl-phenylalanine
CHEMBL25048 ,
3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
FT-0659964
n-carbobenzyloxy-dl-phenylalanine
AKOS000120827
HMS2471P22
z-dl-phenylalanine
nsc 333486
dl-phenylalanine, n-((phenylmethoxy)carbonyl)-
n-benzyloxycarbonyl-dl-3-phenylalanine
einecs 222-726-9
FT-0648843
FT-0634290
AM20060831
AKOS016352338
AB00118807-01
n-benzyloxycarbonyl-dl-phenylalanine
2-benzyloxycarbonylamino-3-phenylpropanoic acid
2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoic acid
((benzyloxy)carbonyl)phenylalanine
Z57205545
SCHEMBL479010
dl-phenylalanine, n-[(phenylmethoxy)carbonyl]-
n-[(benzyloxy)carbonyl]phenylalanine #
cambridge id 6773646
SR-01000488822-1
sr-01000488822
2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
F3145-1407
mfcd00020418
mfcd00063150
bdbm50474097
cbz-dl-phenylalanine
SY011404
F10865
AS-46903
((benzyloxy)carbonyl)dl-phenylalanine
dnp-l-asparticacid
SY051398
nsc402059carbobenzoxy-l-phenylalanine
AKOS037748797
n-(benzyloxycarbonyl)-dl-phenylalanine
DTXSID001283588
EN300-18143
CS-0040799
HY-W021502

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	11.2202	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	0.5012	0.0013	18.0743	39.8107	AID926; AID938
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	6.3096	1.9953	25.5327	50.1187	AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Thermolysin	Bacillus thermoproteolyticus	Ki	512.8610	0.0115	1.1419	2.2909	AID213088
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of inflammatory response to antigenic stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
renal water homeostasis	Guanine nucleotide-binding protein G	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Guanine nucleotide-binding protein G	Homo sapiens (human)
regulation of insulin secretion	Guanine nucleotide-binding protein G	Homo sapiens (human)
cellular response to glucagon stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
G protein activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
adenylate cyclase activator activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID197600	Lysozyme-conjugated prodrugs: in vitro stability in rat cortical homogenate at pH 5	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID197726	Lysozyme-conjugated prodrugs: in vitro stability in lysosomal lysate at pH 5	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID197602	Lysozyme-conjugated prodrugs: in vitro stability in rat cortical homogenate at pH 7.4	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID197596	Lysozyme-conjugated prodrugs: in vitro stability at pH 5	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID1148041	Antitumor activity against mouse EAC allografted in CF1 mouse assessed as tumor volume at 33 mg/kg/day measured on day 7	1977	Journal of medicinal chemistry, Dec, Volume: 20, Issue:12	Antineoplastic agents. 1. N-Protected vinyl, 1,2-dihaloethyl, and cyanomethyl esters of phenylalanine.
AID197598	Lysozyme-conjugated prodrugs: in vitro stability at pH 7.4	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID213088	pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)	2002	Journal of medicinal chemistry, Apr-11, Volume: 45, Issue:8	Development of new hydrogen-bond descriptors and their application to comparative molecular field analyses.
AID1148042	Antitumor activity against mouse EAC allografted in CF1 mouse assessed as inhibition of tumor growth at 33 mg/kg/day measured on day 7	1977	Journal of medicinal chemistry, Dec, Volume: 20, Issue:12	Antineoplastic agents. 1. N-Protected vinyl, 1,2-dihaloethyl, and cyanomethyl esters of phenylalanine.
AID19654	Partition coefficient (logP)	1995	Journal of medicinal chemistry, Oct-13, Volume: 38, Issue:21	Microsphere formation in a series of derivatized alpha-amino acids: properties, molecular modeling, and oral delivery of salmon calcitonin.
AID197728	Lysozyme-conjugated prodrugs: in vitro stability in lysosomal lysate at pH 7.4	1992	Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7	Low molecular weight proteins as carriers for renal drug targeting. Preparation of drug-protein conjugates and drug-spacer derivatives and their catabolism in renal cortex homogenates and lysosomal lysates.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1159537	qHTS screening for TAG (triacylglycerol) accumulators in algae	2017	Plant physiology, Aug, Volume: 174, Issue:4	Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (7.14)	18.7374
1990's	2 (14.29)	18.2507
2000's	2 (14.29)	29.6817
2010's	7 (50.00)	24.3611
2020's	2 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	14 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
benzaldehyde [no description available]	1.95	1	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	1.98	1	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
levoplast Levoplast: mixture of acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R,R))-, castor oil, celluloidin, collodion & tannins	2.15	1	C-nitro compound
hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.	2.42	2	N-acylglycine	human blood serum metabolite; uremic toxin
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	2.15	1	xanthine	Saccharomyces cerevisiae metabolite
atrolactic acid atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure	2.15	1	2-hydroxy monocarboxylic acid
etofylline etofylline: etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin)	2.15	1	oxopurine
n-acetylphenylalanine N-acetylphenylalanine: RN given refers to (DL)-isomer. N-acetylphenylalanine : The N-acetyl derivative of phenylalanine.	1.98	1	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	2.15	1	N-acetyl-amino acid; tryptophan derivative	metabolite
ethacridine Ethacridine: A topically applied anti-infective agent.	2.15	1	acridines
altretamine Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.	2.15	1	triamino-1,3,5-triazine
2,5-di-tert-butylhydroquinone 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.	2.15	1	hydroquinones
chlorambucil Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.	1.95	1	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source	2.15	1
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	2.15	1	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.	2.15	1	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
thiorphan Thiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.	2.01	1	N-acyl-amino acid
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.15	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	1.98	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
ipriflavone ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women.	2.15	1	aromatic ether; isoflavones	bone density conservation agent
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.15	1	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
nocodazole [no description available]	2.15	1	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
piribedil Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist.	2.15	1	N-arylpiperazine
procainamide Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.	2.15	1	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prometone prometone: structure. prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group.	2.15	1	diamino-1,3,5-triazine; methoxy-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
propanil Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat.	2.15	1	anilide; dichlorobenzene	herbicide
sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.	2.15	1	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.	2.15	1	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	1.98	1	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.	2.15	1	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
testosterone [no description available]	2.15	1	3-hydroxy steroid	androgen
triamterene Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.. triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.	1.98	1	pteridines	diuretic; sodium channel blocker
2-hydroxybenzylbenzimidazole 2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation	2.15	1
etimizol Etimizol: A xanthine-related, putative nootropic drug.	2.15	1
uracil mustard Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage.	1.95	1	aminouracil; nitrogen mustard
nifenalol nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation	2.15	1	C-nitro compound
bis(4-hydroxyphenyl)sulfone bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.	2.15	1	bisphenol; sulfone	endocrine disruptor; metabolite
8-hydroxyquinoline-5-sulfonic acid 8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd	2.15	1
salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.	2.15	1	benzanilide fungicide; salicylamides; salicylanilides
2-phenylbutyric acid 2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2.	2.15	1	benzenes; monocarboxylic acid	human xenobiotic metabolite
4,4'-dimethoxybenzophenone 4,4'-dimethoxybenzophenone: structure in first source	2.15	1
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	1.98	1	naphthylamine	carcinogenic agent
6-phenyl-1,3,5-triazine-2,4-diamine 6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source	2.15	1
quinaldic acid [no description available]	2.15	1	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
N-(2-methoxyphenyl)acetamide [no description available]	2.15	1	acetamides; methoxybenzenes
fast red b Fast Red B: structure in first source. fast red B : An organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours.	2.15	1
methylenebis(chloroaniline) Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.	2.15	1	chloroaniline	metabolite
di-(4-aminophenyl)ether di-(4-aminophenyl)ether: structure	2.15	1	aromatic ether
diphenylguanidine diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd. 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry.	2.15	1	guanidines	allergen
4-Anilino-4-oxobutanoic acid [no description available]	2.15	1	anilide
mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.	2.15	1	barbiturates	anticonvulsant
etryptamine etryptamine: RN given refers to cpd without isomeric designation	2.15	1	indoles
sulfacetamide [no description available]	2.15	1
cinchophen cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94	2.15	1	quinolines
2-aminobenzothiazole [no description available]	2.15	1	benzothiazoles
carzenide [no description available]	2.15	1	sulfonamide
nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)	2.15	1	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
n-(2-cyanoethyl)-2-phenylethylamine N-(2-cyanoethyl)-2-phenylethylamine: prodrug of 2-phenylethylamine	2.15	1
cyclooctane [no description available]	2.15	1
triphenyltetrazolium chloride 2,3,5-triphenyltetrazolium chloride : An organic chloride salt having 2,3,5-triphenyltetrazolium as the counterion.	2.15	1	organic chloride salt	dye; indicator
2,7-diacetylaminofluorene 2,7-diacetylaminofluorene: has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79)	2.15	1
3,4-pyridinedicarboxylic acid 3,4-pyridinedicarboxylic acid: structure in first source	2.15	1	pyridinedicarboxylic acid
4-(benzoylamino)-2-hydroxybenzoic acid 4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt	2.15	1	benzamides
tropic acid tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.	2.15	1	3-hydroxy monocarboxylic acid	human xenobiotic metabolite
8-hydroxy-7-iodo-5-quinolinesulfonic acid 8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure	2.15	1	hydroxyquinoline
1-acetylisatin 1-acetylisatin: structure in first source	2.15	1	indoledione
4-cumylphenol [no description available]	2.15	1	diarylmethane
5-methylisatin 5-methylisatin: structure in first source	2.15	1
2-hydrazinobenzothiazole [no description available]	2.15	1
1,2,3-trimethoxybenzene 1,2,3-trimethoxybenzene : A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively.	2.15	1	methoxybenzenes	plant metabolite
2-amino-5-chlorobenzophenone 2-amino-5-chlorbenzophenone: structure given in first source	2.15	1
diphenamid diphenamid: do not confuse with anti-inflammatory agent difenpiramide; structure	2.15	1	diarylmethane
4-(4-nitrobenzyl)pyridine [no description available]	2.15	1
5-methyl-3-phenylisoxazole-4-carboxylic acid 5-methyl-3-phenylisoxazole-4-carboxylic acid: has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities; structure in first source	2.15	1
2-acetylbenzofuran 2-acetylbenzofuran: structure in first source	2.15	1
pyrazon pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2.	2.15	1	benzenes; organochlorine compound; primary amino compound; pyridazinone	environmental contaminant; herbicide; xenobiotic
2-amino-5-nitrobenzophenone 2-amino-5-nitrobenzophenone: urinary metabolite of nitrazepam	2.15	1
(4-tert-Butyl-phenoxy)-acetic acid [no description available]	2.15	1	monocarboxylic acid
lenacil lenacil: Russian drug. herbicide : A substance used to destroy plant pests.. lenacil : A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3.	2.15	1	cyclopentapyrimidine	agrochemical; environmental contaminant; herbicide; xenobiotic
chlordesmethyldiazepam [no description available]	2.15	1	benzodiazepine
2-amino-2',5-dichlorobenzophenone 2-amino-2',5-dichlorobenzophenone: structure given in first source	2.15	1
2-(2'-hydroxyphenyl)benzimidazole 2-(2'-hydroxyphenyl)benzimidazole: structure in first source	2.15	1
4-phthalimidobutyric acid 4-phthalimidobutyric acid: teratogen; RN given refers to parent cpd	2.15	1
azabutyrone azabutyrone: Russian drug; RN given refers to parent cpd; structure	2.15	1
2-(2-hydroxyphenyl)benzothiazole 2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2.	2.15	1	benzothiazoles; phenols	geroprotector
4,5-dichlorocatechol [no description available]	2.15	1
n-butylbenzenesulfonamide N-butylbenzenesulfonamide: a neurotoxic plasticising agent. N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity.	2.15	1	sulfonamide	neurotoxin; plant metabolite
3-phenoxybenzoic acid 3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.	2.15	1	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
2-(2-hydroxyethylmercapto)benzothiazole 2-(2-hydroxyethylmercapto)benzothiazole: reaction product of 2-mercaptobenzothiazole, well-known rubber vulcanization accelerator; structure in first source	2.15	1
carboxin Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.	2.15	1	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
meturin [no description available]	2.15	1
2-bromo-N-phenylbenzamide [no description available]	2.15	1	benzamides
4-chlorohippuric acid 4-chlorohippuric acid: metabolite of zomepirac; RN given refers to parent cpd	2.15	1
4-chlorophenoxyacetic acid 4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4.	2.15	1	chlorophenoxyacetic acid; monochlorobenzenes	phenoxy herbicide
2,5-dichloro-1,4-phenylenediamine 2,5-dichloro-1,4-phenylenediamine: structure in first source	2.15	1
metribuzin metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3.	2.15	1	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
2,5-dimethyl-3-furancarboxanilide 2,5-dimethyl-3-furancarboxanilide: structure	2.15	1
moricizine hydrochloride moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride.	2.15	1	hydrochloride	anti-arrhythmia drug
2-benzimidazolylguanidine 2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd	2.15	1	aminoimidazole
diflubenzuron Diflubenzuron: An insect growth regulator which interferes with the formation of the insect cuticle. It is effective in the control of mosquitoes and flies.. diflubenzuron : A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group.	2.15	1	benzoylurea insecticide; monochlorobenzenes	insect sterilant
pentafluorobenzoyl-n-phenylethylamine [no description available]	2.15	1
thidiazuron [no description available]	2.15	1	ureas
phenthiazamine phenthiazamine: RN given refers to parent cpd	2.15	1
5,5-diphenylbarbituric acid 5,5-diphenylbarbituric acid: RN given refers to parent cpd	2.15	1
3-acetamidobenzoic acid N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source	2.15	1
dazoxiben hydrochloride [no description available]	2.15	1
succinylsulfanilamide [no description available]	2.15	1
benzylaminopurine benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.	2.15	1	6-aminopurines	cytokinin; plant metabolite
ciprofloxacin hydrochloride anhydrous [no description available]	2.15	1	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
src-820 r [no description available]	2.15	1
n(4)-acetylsulfadiazine N(4)-acetylsulfadiazine: main metabolite of sulfadiazine. N(4)-acetylsulfadiazine : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.	2.15	1	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone 4-nitro-alpha-acetylamino-beta-hydroxypropiophenone: inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria	2.15	1
formetamide formetamide: RN given refers to cpd with unspecified isomeric designation	2.15	1
isbufylline isbufylline: RN from Toxlit	2.15	1
phenylacetylglycine phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group.	2.15	1	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
N-benzoylanthranilic acid N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position.	2.15	1	amidobenzoic acid
butinoline [no description available]	2.15	1	diarylmethane
n-(2-carboxyphenyl)glycine [no description available]	2.15	1
n,n-dimethyl-4-anisidine [no description available]	2.15	1
n-benzoylpiperidine [no description available]	2.15	1	benzamides; N-acylpiperidine
2-phenylcyclopropanecarboxylic acid 2-phenylcyclopropanecarboxylic acid: RN given for (trans)-isomer; structure in first source	2.15	1
n-demethylantipyrine [no description available]	2.15	1	pyrazoles; ring assembly
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available]	2.15	1	1,2,4-triazines
2-amino-5-bromopyridine [no description available]	2.15	1
carbobenzoxyphenylalanine carbobenzoxyphenylalanine: RN given refers to (L-Phe)-isomer	1.95	1
n-benzoylalanine, (dl-ala)-isomer [no description available]	2.15	1	alanine derivative; N-acyl-amino acid	metabolite
bicinchoninic acid [no description available]	2.15	1
betamipron [no description available]	2.15	1	organonitrogen compound; organooxygen compound
benzoylpropionic acid benzoylpropionic acid: structure in first source. 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.	2.15	1	4-oxo monocarboxylic acid	hapten
Evoxine [no description available]	2.15	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source	2.15	1	harmala alkaloid
N-Benzylphthalimide [no description available]	2.15	1	isoindoles
pyromellitic diimide pyromellitic diimide: RN given refers to parent cpd	2.15	1
4'-bromosalicylanilide 4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure	2.15	1
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite	2.15	1	bisphenol
terephthalamide [no description available]	2.15	1	benzenedicarboxamide
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl- [no description available]	2.15	1
2-nitrophenylacetic acid (2-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group.	2.15	1	C-nitro compound; phenylacetic acids
onychine [no description available]	2.15	1
4'-methoxyflavone 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source	2.15	1	ether; flavonoids
1,3-diphenyl-2-aminopropane 1,3-diphenyl-2-aminopropane: structure given in the first source	2.15	1
2,2-diphenylpropionic acid 2,2-diphenylpropionic acid: RN given refers to parent cpd	2.15	1
3,4-dimethoxyphenylacetamide 3,4-dimethoxyphenylacetamide: structure	2.15	1
2-amino-5-bromobenzoic acid 2-amino-5-bromobenzoic acid: structure in first source	2.15	1
2-(1H-benzimidazol-2-yl)aniline 2-(1H-benzimidazol-2-yl)aniline : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2.	2.15	1	benzimidazoles; primary arylamine; substituted aniline	geroprotector
N-Acetylhomoveratrylamine [no description available]	2.15	1	acetamides
2-chlorobenzenesulfonamide [no description available]	2.15	1
4-nitrophenyl dimethylcarbamate [no description available]	2.15	1
8-(4-tolylsulfonylamino)quinoline 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source	2.15	1	sulfonamide
5-methoxyindole-3-carbaldehyde [no description available]	2.15	1	indoles
2-oxo-1,2-dihydroquinoline-4-carboxylic acid [no description available]	2.15	1	quinolinemonocarboxylic acid
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one [no description available]	2.15	1	beta-carbolines
pd 147953 [no description available]	2.15	1
fenozan fenozan: do not confuse with the phenothiazine phenosan	2.15	1
5-phenylbarbituric acid 5-phenylbarbituric acid: RN given refers to parent cpd	2.15	1
diethylpropion hydrochloride diethylpropion hydrochloride : The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity.	2.15	1	hydrochloride	appetite depressant
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation	2.15	1
beta-hydroxyphenylalanine beta-hydroxyphenylalanine: RN given refers to beta cpd	2.15	1
3-(n-salicyloyl)amino-1,2,4-triazole 3-(N-salicyloyl)amino-1,2,4-triazole: synthetic chelating agent used chiefly to inhibit corrosion of copper	2.15	1
7-chloro-4-aminoquinoline 7-chloro-4-aminoquinoline: structure given in first source	2.15	1	aminoquinoline
acridine-9-carboxylic acid [no description available]	2.15	1
1-phenazinecarboxylic acid 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group.	2.15	1	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
4,5-diphenyl-1,5-dihydroimidazol-2-one [no description available]	2.15	1	stilbenoid
2-hydroxy-1,2-bis(methoxyphenyl)ethanone 2-hydroxy-1,2-bis(methoxyphenyl)ethanone: structure given in first source	2.15	1
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.15	1	sulfonamide
4-n-butylaminobenzoic acid 4-n-butylaminobenzoic acid: degradation product of tetracaine. 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group.	2.15	1	aromatic amino acid
fluoren-9-ol [no description available]	2.15	1
1-(2-carboxyethyl)uracil [no description available]	2.15	1
1-benzylindole 1-benzylindole: structure	2.15	1
2,3-bis(2-pyridinyl)quinoxaline [no description available]	2.15	1	quinoxaline derivative
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'.	2.15	1	dichlorobenzene; hydroxybiphenyls
5-nitro-2-(1-piperidinyl)pyridine [no description available]	2.15	1	C-nitro compound
2-amino-5,7-dimethyl-1,8-naphthyridine 2-amino-5,7-dimethyl-1,8-naphthyridine: structure in first source	2.15	1
n-benzoyl-l-arginine N-benzoyl-L-arginine: RM given refers to (l)-isomer; structure. N-benzoyl-L-arginine : An N-acyl-L-arginine that is L-arginine in which one of the hydrogens attached to the alpha-amino group has been replaced by a benzoyl group.	1.98	1	benzamides; N-acyl-L-arginine
benzoylphenylalanine N-benzoyl-L-phenylalanine : An N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group.	2.37	2	2-(benzoylamino)-3-phenylpropanoic acid; N-acyl-L-phenylalanine
5-benzyloxytryptophan [no description available]	2.15	1
2,5-diethoxy-4-morpholinoaniline 2,5-diethoxy-4-morpholinoaniline: structure in first source	2.15	1
3-hydroxy-3-phenacyloxindole [no description available]	2.15	1
leucine-beta-naphthylamide leucine-beta-naphthylamide: aminopeptidase substrate. L-leucine 2-naphthylamide : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 2-naphthylamine.	1.98	1	amino acid amide; L-leucine derivative; N-(2-naphthyl)carboxamide	chromogenic compound
gamma-fagarine gamma-fagarine: active alkaloid of Chinese medicines from Dictamni radicis cortex (Rutaceae); structure given in first source	2.15	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
3-carboxymethyl-6-benzyl-2,5-diketopiperazine 3-carboxymethyl-6-benzyl-2,5-diketopiperazine: formed in aqueous solution by aspartame; structure given in first source	2.15	1	organonitrogen compound; organooxygen compound
4-fluorobenzenesulfonamide 4-fluorobenzenesulfonamide: structure given in first source	2.15	1
emoxypine succinate emoxypine succinate: has antihypoxic effects	2.15	1
n-carbamyltryptophan N-carbamyltryptophan: RN given refers to (D)-isomer	2.15	1
2,4,6-trimethoxyacetophenone 2,4,6-trimethoxyacetophenone: structure in first source	2.15	1
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole 1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source	2.15	1
4-methyoxybenzoyl-n-glycine [no description available]	2.15	1	N-acylglycine
5-ethoxy-2-ethylmercaptobenzimidazole 5-ethoxy-2-ethylmercaptobenzimidazole: has activating effect on peritoneal macrophages; RN given does not give position for ethoxy group	2.15	1
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester [no description available]	2.15	1
retrothiorphan retrothiorphan: RETRO-THIORPHAN was an EN to THIORPHAN 1989-93	2.01	1
n-phenyliminodiacetic acid [no description available]	2.15	1
teomorfolin teomorfolin: structure given in first source	2.15	1
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone [no description available]	2.15	1	benzodioxoles
n-benzoyltyrosine N-benzoyltyrosine: RN given refers to (L)-isomer. N-benzoyl-L-tyrosine : An N-acyl-L-tyrosine that is L-tyrosine in which one of the hydrogens of the amino group has been replaced by a benzoyl group.	1.98	1	benzamides; N-acyl-L-tyrosine
n-(aminocarbonyl)-2-chlorobenzenesulfonamide [no description available]	2.15	1
3-hydroxy-2-quinoxalinepropionic acid [no description available]	2.15	1
8-(methylsulfonylamino)quinoline 8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source	2.15	1
glycylphenylalanine 2-naphthylamide glycylphenylalanine 2-naphthylamide: cathepsin C substrate; RN given refers to (L)-isomer. glycyl-L-phenylalanine 2-naphthylamide : An N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-phenylalanine with the amino group of 2-naphthylamine.	1.98	1	dipeptide; N-(2-naphthyl)carboxamide	chromogenic compound
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	1.98	1	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
n(4)-acetylsulfamonomethoxine N(4)-acetylsulfamonomethoxine: main urinary metabolite of sulfamonomethoxine in pigs	2.15	1
8-(4-benzenesulfonylamino)quinoline 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source	2.15	1
methindione methindione: used in treatment of epilepsy; RN given refers to parent cpd; structure	2.15	1
3,4-dihydroxybenzophenone 3,4-dihydroxybenzophenone: structure in first source	2.15	1
gamma-propanol [no description available]	2.15	1
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile [no description available]	2.15	1	benzenes; nitrile
isonicotinylamide gaba [no description available]	2.15	1
5-fluorotryptamine monohydrochloride [no description available]	2.15	1
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide 4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide: the iodinated analog of moclobemide; structure given in first source	2.15	1
3-(hydroxyacetyl)indole 3-(hydroxyacetyl)indole: structure in first source	2.15	1	indoles
n-(4-aminophenylsulfonyl)morpholine compound 82 208: structure given in first source	2.15	1
1H-indol-3-yl-(4-methoxyphenyl)methanone [no description available]	2.15	1	N-acylindole
2-amino-5-phenyl-1,3,4-thiadiazole 2-amino-5-phenyl-1,3,4-thiadiazole: structure in first source	2.15	1
N-(1-phenylethyl)acetamide N-(1-phenylethyl)acetamide : A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid.	2.15	1	acetamides; secondary carboxamide
alpha-(trichloromethyl)-4-pyridineethanol alpha-(trichloromethyl)-4-pyridineethanol: activates caspase-3	2.15	1	pyridines
ml 204 ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source	2.15	1
eudesmin eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol	2.15	1
2-amino-4-methyl-3-nitropyridine [no description available]	2.15	1
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline: Anticonvulsant	2.15	1
n-acetylhistidine [no description available]	2.15	1	histidine derivative; N-acetyl-amino acid
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid [no description available]	2.15	1	acetamides
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea [no description available]	2.15	1	ureas
4-methoxyxanthone 4-methoxyxanthone: a vasodilator; structure in first source	2.15	1
N-(4-nitrophenyl)-2-phenoxyacetamide [no description available]	2.15	1	C-nitro compound
1-phenylindolin-2-one 1-phenylindolin-2-one: structure in first source	2.15	1
1-(benzenesulfonyl)indole [no description available]	2.15	1	sulfonamide
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile [no description available]	2.15	1	dihydropyridine
pifithrin mu 2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagy	2.15	1	benzenes
2-benzyloxybenzaldehyde [no description available]	2.15	1
2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source	2.15	1
N-phenylcarbamic acid 2-phenoxyethyl ester [no description available]	2.15	1	carbamate ester
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol [no description available]	2.15	1	benzimidazoles
mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source	2.15	1
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide [no description available]	2.15	1	diarylmethane
Girgensonine [no description available]	2.15	1	nitrile
Dubinidine [no description available]	2.15	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
phenylalaninol phenylalaninol: inhibits intestinal absorption of phenylalanine; RN given refers to cpd with unspecified stereochemistry. L-phenylalaninol : An amino alcohol resulting from the formal reduction of the carboxy group of L-phenylalanine to the corresponding alcohol.	1.95	1	amino alcohol; amphetamines; primary alcohol; primary amino compound
N-[4-(methanesulfonamido)phenyl]acetamide [no description available]	2.15	1	sulfonamide
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	1.95	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
4-(2-oxazolo[4,5-b]pyridinyl)aniline [no description available]	2.15	1	1,3-oxazoles
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole [no description available]	2.15	1	benzoxazole
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium [no description available]	2.15	1	pyridazines
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone [no description available]	2.15	1	substituted aniline
1-phenyl-4-pyrazolol [no description available]	2.15	1	pyrazoles; ring assembly
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide [no description available]	2.15	1	benzothiazoles
3-benzamido-2-benzofurancarboxamide [no description available]	2.15	1	benzofurans
N-[2-(4-methoxyphenyl)ethyl]acetamide [no description available]	2.15	1	acetamides
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide [no description available]	2.15	1	aromatic ether
2-(1H-indol-3-ylthio)acetic acid [no description available]	2.15	1	indoles
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide [no description available]	2.15	1	carbonyl compound; organohalogen compound
3-Methylbenzofuran-2-carboxylic acid [no description available]	2.15	1	benzofurans
5-(3,4-dimethoxyphenyl)-2H-tetrazole [no description available]	2.15	1	tetrazoles
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine [no description available]	2.15	1	piperazines
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol [no description available]	2.15	1	alkylbenzene
2-phenylindole-3-carbaldehyde 2-phenylindole-3-carbaldehyde: structure in first source	2.15	1
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine [no description available]	2.15	1	aryl sulfide
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine [no description available]	2.15	1	C-nitro compound
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline [no description available]	2.15	1	pyrimidines
7-methoxyisoflavone 7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7.	2.15	1	7-methoxyisoflavones
LSM-32392 [no description available]	2.15	1	monoterpenoid
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide [no description available]	2.15	1	benzamides
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol [no description available]	2.15	1	benzimidazoles
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide [no description available]	2.15	1	sulfonamide
3-acetamido-5-chloro-2-benzofurancarboxylic acid [no description available]	2.15	1	benzofurans
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone [no description available]	2.15	1	dimethoxybenzene
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine [no description available]	2.15	1	N-arylpiperazine
haplamine haplamine: isolated from Haplophyllum acutifolium; structure in first source	2.15	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine [no description available]	2.15	1	triazoles
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide [no description available]	2.15	1	benzamides
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone [no description available]	2.15	1	aromatic ketone
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid [no description available]	2.15	1	quinolines
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively.	2.15	1	pyridines; pyrrolidines; quinazolines
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	1.95	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
scp 1 [no description available]	2.15	1
N-(3-acetamidophenyl)-4-methoxybenzamide [no description available]	2.15	1	benzamides
N-(3-acetamidophenyl)-3-chlorobenzamide [no description available]	2.15	1	benzamides
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide [no description available]	2.15	1	benzamides
N-(2-fluorophenyl)-4-phenylmethoxybenzamide [no description available]	2.15	1	benzamides
N-[4-(diethylamino)phenyl]-2-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
N-(2-furanylmethyl)-2-benzofurancarboxamide [no description available]	2.15	1	benzofurans
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine [no description available]	2.15	1	aromatic amine; thiadiazoles
te 5 [no description available]	2.15	1
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide [no description available]	2.15	1	ureas
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine [no description available]	2.15	1	benzothiazoles
6-methylflavone 6-methylflavone: structure in first source	2.15	1
2-methoxy-N-(2-pyridinyl)benzamide [no description available]	2.15	1	benzamides
2-chloro-N-(2-phenylethyl)benzamide [no description available]	2.15	1	carbonyl compound; organohalogen compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide [no description available]	2.15	1	C-nitro compound
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide [no description available]	2.15	1	carbonyl compound; organohalogen compound
tioxazafen tioxazafen : A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment.	2.15	1	1,2,4-oxadiazole; thiophenes	agrochemical; nematicide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide [no description available]	2.15	1	aromatic amide
1-(4-Methoxyphenyl)-2-nitroethylene 4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source	2.15	1	methoxybenzenes
brd32048 BRD32048: inhibits ETV1 oncoprotein; structure in first source	2.15	1	methoxybenzenes; substituted aniline
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide [no description available]	2.15	1	aromatic ether
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine [no description available]	2.15	1	imidazoles
5-(2-phenyl-4-triazolyl)-2H-tetrazole [no description available]	2.15	1	triazoles
N-cyclohexyl-2,3-dihydroindole-1-carboxamide [no description available]	2.15	1	indolyl carboxylic acid
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group.	2.15	1	aryl sulfide; benzenes; thienopyrimidine
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone [no description available]	2.15	1	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide [no description available]	2.15	1	indolecarboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide [no description available]	2.15	1	benzamides
4-(1H-benzimidazol-2-yl)quinoline [no description available]	2.15	1	quinolines
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one [no description available]	2.15	1	aromatic ketone
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide [no description available]	2.15	1	aromatic amide; furans
N-(4-methoxyphenyl)-2-benzofurancarboxamide [no description available]	2.15	1	aromatic amide; furans
2-(9h-xanthen-9-yl)-malonic acid [no description available]	2.15	1	xanthenes
1-(1,3-benzothiazol-2-yl)-3-phenylurea [no description available]	2.15	1	ureas
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one [no description available]	2.15	1	imidazoles
N-(4-acetamidophenyl)-2-bromobenzamide [no description available]	2.15	1	benzamides
4-bromo-N-phenacylbenzamide [no description available]	2.15	1	aromatic ketone
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone [no description available]	2.15	1	indoles
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide [no description available]	2.15	1	triazoles
N,N-dimethyl-N'-p-tolylsulfamide N,N-dimethyl-N'-p-tolylsulfamide : A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.	2.15	1	sulfamides	marine xenobiotic metabolite
2-(1-piperidinylmethyl)phenol 2-(1-piperidinylmethyl)phenol: structure in first source	2.15	1
2,6-bis(benzimidazol-2-yl)pyridine 2,6-bis(benzimidazol-2-yl)pyridine: structure in first source	2.15	1	benzimidazoles
1-cyclohexyl-3-(2-phenylethyl)urea [no description available]	2.15	1	benzenes
1-(3,5-dichlorophenyl)-3-phenylurea [no description available]	2.15	1	ureas
1-(cyclohexylmethyl)-4-phenylpiperazine [no description available]	2.15	1	piperazines
N-phenethyl-2-furamide [no description available]	2.15	1	aromatic amide; heteroarene
paromomycin sulfate [no description available]	2.15	1
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide [no description available]	2.15	1	benzimidazoles
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine [no description available]	2.15	1	aralkylamine
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide [no description available]	2.15	1	monoterpenoid
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile [no description available]	2.15	1	nitrile; pyridines
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide [no description available]	2.15	1	benzamides
vu0099704 VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source	2.15	1
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.15	1	pyrazoles; ring assembly
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline [no description available]	2.15	1	triazoles
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide [no description available]	2.15	1	pyrroloquinoline
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole [no description available]	2.15	1	aryl sulfide
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile VRX-413638: structure in first source	2.15	1
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone [no description available]	2.15	1	aromatic ketone
2-fluoro-N-phenacylbenzamide [no description available]	2.15	1	aromatic ketone
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile [no description available]	2.15	1	nitrile; pyridines
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone [no description available]	2.15	1	carbonyl compound; thiol
GS4012 free base GS4012 free base : A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group.	2.15	1	aryl sulfide; monomethoxybenzene; pyridines	VEGF activator
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide [no description available]	2.15	1	benzimidazoles
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone [no description available]	2.15	1	aromatic ketone
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide : An amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine.	2.15	1	amino acid amide; glycine derivative
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine [no description available]	2.15	1	N-arylpiperazine
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine [no description available]	2.15	1	piperazines
4-Piperidinobenzoic acid [no description available]	2.15	1	piperidines
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine [no description available]	2.15	1	piperazines
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide [no description available]	2.15	1	pyrroloquinoline
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine [no description available]	2.15	1	benzimidazoles
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide [no description available]	2.15	1	sulfonamide
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide [no description available]	2.15	1	benzodioxine
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor	2.15	1
8-(3,5-dimethyl-1-pyrazolyl)quinoline [no description available]	2.15	1	quinolines
2'-nitroflavone 2'-nitroflavone: has antineoplastic activity	2.15	1
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine [no description available]	2.15	1	aminoquinoline
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one [no description available]	2.15	1	aromatic compound
vrt 532 VRT 532: a CFTR potentiator; structure in first source	2.15	1
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol [no description available]	2.15	1	piperazines
1-piperonylpiperidine 1-piperonylpiperidine: an AMPA receptor modulator; structure in first source	2.15	1
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol [no description available]	2.15	1	aromatic amine
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol [no description available]	2.15	1	aromatic amine
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.15	1	pyrazolopyrimidine
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide [no description available]	2.15	1	benzamides
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide [no description available]	2.15	1	imidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole [no description available]	2.15	1	aryl sulfide
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine [no description available]	2.15	1	benzoxazole
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea [no description available]	2.15	1	ureas
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid [no description available]	2.15	1	N-acylglycine
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone [no description available]	2.15	1	aromatic ketone
N-(3-acetamidophenyl)-2-chlorobenzamide [no description available]	2.15	1	benzamides
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine [no description available]	2.15	1	dialkylarylamine; tertiary amino compound
2-bromo-N-(3-methoxyphenyl)benzamide [no description available]	2.15	1	benzamides
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol [no description available]	2.15	1	aromatic ether; C-nitro compound
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	aromatic amide; furans
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea [no description available]	2.15	1	quinoxaline derivative
2-(dimethylsulfamoylamino)-9H-fluorene [no description available]	2.15	1	fluorenes
4-chloro-1-ethyl-3-nitro-2-quinolinone [no description available]	2.15	1	nitro compound; quinolines
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone [no description available]	2.15	1	quinolines
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde [no description available]	2.15	1	arenecarbaldehyde
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone [no description available]	2.15	1	stilbenoid
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide [no description available]	2.15	1	aromatic amide
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide [no description available]	2.15	1	triazoles
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide [no description available]	2.15	1	anilide
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide [no description available]	2.15	1	organofluorine compound
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide [no description available]	2.15	1	phthalazines
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide [no description available]	2.15	1	phthalimides
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline [no description available]	2.15	1	quinolines
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone [no description available]	2.15	1	stilbenoid
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole [no description available]	2.15	1	oxadiazole; ring assembly
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole [no description available]	2.15	1	pyridines
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione [no description available]	2.15	1	phthalimides
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.15	1	benzimidazoles
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide [no description available]	2.15	1	carbazoles
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide [no description available]	2.15	1	primary carboxamide; pyrazines; secondary carboxamide
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide [no description available]	2.15	1	benzodioxoles
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea [no description available]	2.15	1	benzodioxine
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline [no description available]	2.15	1	aryl sulfide
1-[2-(2-chlorophenoxy)ethyl]benzimidazole [no description available]	2.15	1	benzimidazoles
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one [no description available]	2.15	1	C-nitro compound
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide [no description available]	2.15	1	sulfonamide
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone [no description available]	2.15	1	aromatic ketone
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine [no description available]	2.15	1	triazolopyridazine
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide [no description available]	2.15	1	aromatic ketone
oncrasin-1 oncrasin-1: an antineoplastic agent; structure in first source. oncrasin-1 : A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations.	2.15	1	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide [no description available]	2.15	1	C-nitro compound
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde [no description available]	2.15	1	benzimidazoles
N-(4-anilinophenyl)-2-methylpropanamide [no description available]	2.15	1	anilide
N-(2-fluorophenyl)-3-phenylpropanamide [no description available]	2.15	1	anilide
1-[(Phenylthio)acetyl]piperidine [no description available]	2.15	1	N-acylpiperidine
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole [no description available]	2.15	1	oxadiazole; ring assembly
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid [no description available]	2.15	1	trihydroxybenzoic acid
4-(4-morpholinylmethyl)-3-quinolinol [no description available]	2.15	1	quinolines
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide [no description available]	2.15	1	benzamides
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione [no description available]	2.15	1	naphthofuran
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide [no description available]	2.15	1	aromatic amide; heteroarene
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone [no description available]	2.15	1	benzamides
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone [no description available]	2.15	1	aromatic ketone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide [no description available]	2.15	1	acetamides
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available]	2.15	1	benzamides
1-propylsulfonyl-4-(2-pyridinyl)piperazine [no description available]	2.15	1	piperazines; pyridines
2-(2-phenylethylthio)-3-pyridinecarboxylic acid [no description available]	2.15	1	aromatic carboxylic acid; pyridines
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide [no description available]	2.15	1	aromatic ether
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide [no description available]	2.15	1	benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide [no description available]	2.15	1	thiazoles
1-cyclohexyl-3-(3-ethylphenyl)urea [no description available]	2.15	1	ureas
n-phenylpiracetam N-phenylpiracetam: structure given in first source	2.15	1
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide [no description available]	2.15	1	biphenyls
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide [no description available]	2.15	1	benzamides
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide [no description available]	2.15	1	isoquinolines
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	benzamides
1,4-bis(thiophen-2-ylsulfonyl)piperazine [no description available]	2.15	1	N-sulfonylpiperazine; thiophenes
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide [no description available]	2.15	1	benzamides
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine [no description available]	2.15	1	piperazines
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source	2.15	1
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone [no description available]	2.15	1	quinazolines
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea [no description available]	2.15	1	morpholines
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate : A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group.	2.15	1	carbamate ester; sulfonamide
LSM-4563 [no description available]	2.15	1	aromatic ketone
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine [no description available]	2.15	1	piperazines
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide [no description available]	2.15	1	sulfonamide
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide [no description available]	2.15	1	sulfonamide
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine [no description available]	2.15	1	sulfonamide
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide [no description available]	2.15	1	sulfonamide
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline [no description available]	2.15	1	piperazines; pyridines
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone [no description available]	2.15	1	quinolines
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine [no description available]	2.15	1	tetrazoles
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide [no description available]	2.15	1	1,3-oxazoles
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone [no description available]	2.15	1	piperazines; pyridines
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol [no description available]	2.15	1	thiazolopyrimidine
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	aromatic amide
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid [no description available]	2.15	1	benzamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide [no description available]	2.15	1	acetamides
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid [no description available]	2.15	1	methoxybenzoic acid
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide [no description available]	2.15	1	sulfonamide
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide [no description available]	2.15	1	aromatic amide
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide [no description available]	2.15	1	benzamides
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione [no description available]	2.15	1	aromatic ketone
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide [no description available]	2.15	1	sulfonamide
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide [no description available]	2.15	1	sulfonamide
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide [no description available]	2.15	1	benzamides
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide [no description available]	2.15	1	benzamides
stk295900 [no description available]	2.15	1
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine [no description available]	2.15	1	piperazines
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide [no description available]	2.15	1	pyridazines; ring assembly
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea [no description available]	2.15	1	ureas
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide [no description available]	2.15	1	methoxybenzenes
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine [no description available]	2.15	1	phthalazines
SMER 28 SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy.	2.15	1	organobromine compound; quinazolines; secondary amino compound	autophagy inducer
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester [no description available]	2.15	1	morpholines
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone [no description available]	2.15	1	aromatic ether
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone [no description available]	2.15	1	N-acylpiperidine
N-(3-phenylpropyl)methanesulfonamide [no description available]	2.15	1	benzenes
4-acetamido-N-(2-methoxyethyl)benzamide [no description available]	2.15	1	amidobenzoic acid
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone [no description available]	2.15	1	quinolines
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine [no description available]	2.15	1	aromatic ether
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone [no description available]	2.15	1	aralkylamine
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.15	1	piperazinecarboxylic acid
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid [no description available]	2.15	1	benzamides
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene [no description available]	2.15	1	methoxybenzenes
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide [no description available]	2.15	1	sulfonamide
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine [no description available]	2.15	1	aromatic ether
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide [no description available]	2.15	1	biphenyls
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source	2.15	1
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol [no description available]	2.15	1	nitrophenol
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine [no description available]	2.15	1	quinazolines
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one [no description available]	2.15	1	aromatic ketone
Methyl(2-furoylamino)acetic acid [no description available]	2.15	1	N-acyl-amino acid
5-nitro-8-(1-pyrrolidinyl)quinoline [no description available]	2.15	1	nitro compound; quinolines
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide [no description available]	2.15	1	amino acid amide
2-[(4-methylphenyl)sulfonylamino]pentanoic acid [no description available]	2.15	1	sulfonamide
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine 4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source	2.15	1
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide [no description available]	2.15	1	piperidines
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone [no description available]	2.15	1	acetamides
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile [no description available]	2.15	1	methoxybenzenes
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione [no description available]	2.15	1	pyrrolidines
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione [no description available]	2.15	1	pyrrolidines
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine [no description available]	2.15	1	dialkylarylamine; tertiary amino compound
(3,5-Dimethyl-1-adamantyl)amine nitrate [no description available]	2.15	1	nitrates
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol [no description available]	2.15	1	alkylbenzene
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine [no description available]	2.15	1	N-alkylpyrrolidine
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine [no description available]	2.15	1	aralkylamine
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide [no description available]	2.15	1	aromatic amide
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid [no description available]	2.15	1	anilide
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide [no description available]	2.15	1	aromatic amide
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide [no description available]	2.15	1	monoterpenoid
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide [no description available]	2.15	1	carbonyl compound; organohalogen compound
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid [no description available]	2.15	1	benzodioxine
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol [no description available]	2.15	1	aromatic compound
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile [no description available]	2.15	1	pyrrolidines
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol [no description available]	2.15	1	methoxybenzenes
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile [no description available]	2.15	1	organochlorine compound; pyranopyrazole
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol [no description available]	2.15	1	benzimidazoles
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide [no description available]	2.15	1	hydroxyquinoline
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide [no description available]	2.15	1	aromatic amide; furans
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile [no description available]	2.15	1	organic heterobicyclic compound; organonitrogen heterocyclic compound
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione [no description available]	2.15	1	pyrrolidines
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available]	2.15	1	anilide
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid [no description available]	2.15	1	organosulfur heterocyclic compound
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone [no description available]	2.15	1	aromatic amide; thiophenes
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone [no description available]	2.15	1	piperazines
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide [no description available]	2.15	1	aromatic amide; heteroarene
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine [no description available]	2.15	1	piperazines
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline [no description available]	2.15	1	piperazines
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide [no description available]	2.15	1	benzothiazoles
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide [no description available]	2.15	1	nitro compound; quinolines
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide [no description available]	2.15	1	pyrrolidines
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide [no description available]	2.15	1	benzamides
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).	2.15	1	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
6,3',4'-Trimethoxyflavanone [no description available]	2.15	1	ether; flavonoids
1-[4-(3-ethoxyphenoxy)butyl]imidazole [no description available]	2.15	1	aromatic ether
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole [no description available]	2.15	1	oxadiazole; ring assembly
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione [no description available]	2.15	1	phthalimides
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone [no description available]	2.15	1	sulfonamide
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide [no description available]	2.15	1	amidobenzoic acid
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available]	2.15	1	aromatic amide
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide 2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first source	2.15	1	quinolines
LSM-25805 [no description available]	2.15	1	isoindoles
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide [no description available]	2.15	1	quinolines
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide [no description available]	2.15	1	1-benzothiophenes
nsc 727447 NSC 727447: structure in first source	2.15	1
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide [no description available]	2.15	1	acetamides
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide [no description available]	2.15	1	C-nitro compound; thiazoles
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine [no description available]	2.15	1	methoxybenzenes
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide [no description available]	2.15	1	pyrrolidines
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide [no description available]	2.15	1	sulfonamide
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available]	2.15	1	C-nitro compound
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide [no description available]	2.15	1	nitrophenol
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide [no description available]	2.15	1	quinolines
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine [no description available]	2.15	1	C-nitro compound
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor	2.15	1
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide [no description available]	2.15	1	aromatic amide
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide [no description available]	2.15	1	aromatic amide; thiazoles
ex 527 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.	2.15	1	carbazoles; monocarboxylic acid amide; organochlorine compound
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one [no description available]	2.15	1	indoles
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one [no description available]	2.15	1	phenylpyridine
3-methylharman [no description available]	2.15	1
1-methyl-beta-carboline-3-carboxylic acid 1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source	2.15	1
sildenafil sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.	2.15	1	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
2-methyl-4(3h)-quinazolinone 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source	2.15	1
n(4)-desoxychlordiazepoxide N(4)-desoxychlordiazepoxide: not phototoxic; structure given in first source	2.15	1
2-amino-3-hydroxyphenazine 2-amino-3-hydroxyphenazine: structure given in first source	2.15	1
2-styrylquinazolin-4(3h)-one 2-styrylquinazolin-4(3H)-one: structure given in first source	2.15	1
2-amino-5-iodo-6-phenyl-4-pyrimidinone [no description available]	2.15	1
quininib quininib: has antiangiogenic activity; structure in first source. quininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3	2.15	1	phenols; styrylquinoline	angiogenesis inhibitor
bropirimine [no description available]	2.15	1	pyrimidines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one [no description available]	2.15	1	quinazolines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one [no description available]	2.15	1	quinazolines

Condition	Relationship Strength	Studies
Carcinoma 256, Walker A transplantable carcinoma of the rat that originally appeared spontaneously in the mammary gland of a pregnant albino rat, and which now resembles a carcinoma in young transplants and a sarcoma in older transplants. (Stedman, 25th ed)	1.95	1
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	1.95	1
Experimental Leukemia [description not available]	1.95	1
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Encephalitis, Polio [description not available]	2.06	1
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)	2.06	1
Plasmodium falciparum Malaria [description not available]	2.1	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	2.1	1

carbobenzoxyphenylalanine, (dl-phe)-isomer

Cross-References

Synonyms (64)

Protein Targets (4)

Potency Measurements

Inhibition Measurements

Biological Processes (5)

Molecular Functions (2)

Ceullar Components (1)

Bioassays (28)

Research

Studies (14)

Market Indicators

Research Demand Index: 12.12

Study Types