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Amitrole is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties. It has a role as a herbicide, an EC 1.11.1.6 (catalase) inhibitor and a carotenoid biosynthesis inhibitor. It is an aromatic amine and a member of triazoles. | C1=NNC(=N1)N |
3-aminobenzamide is a substituted aniline that is benzamide in which one of the meta- hydrogens is replaced by an amino group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is a member of benzamides and a substituted aniline. | C1=CC(=CC(=C1)N)C(=O)N |
3-aminopropanesulfonic acid is an amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid. It has a role as an algal metabolite, a nootropic agent, an anticonvulsant, a GABA agonist and an anti-inflammatory agent. It is a tautomer of a 3-aminopropanesulfonic acid zwitterion. | C(CN)CS(=O)(=O)O |
Beta-aminopropionitrile is an aminopropionitrile carrying an amino group at the beta-position. It has a role as a plant metabolite, an antineoplastic agent, an antirheumatic drug and a collagen cross-linking inhibitor. It is a conjugate base of a beta-ammoniopropionitrile. | C(CN)C#N |
3-hydroxy-3-methylglutaric acid is a dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura. It has a role as an antimetabolite, an anticholesteremic drug, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, a human metabolite and a plant metabolite. It is a dicarboxylic acid, a 3-hydroxy carboxylic acid and a tertiary alcohol. It is functionally related to a glutaric acid. It is a conjugate acid of a 3-hydroxy-3-methylglutarate(1-). | CC(CC(=O)O)(CC(=O)O)O |
3-(hydrazinylmethyl)phenol is a member of phenols. | C1=CC(=CC(=C1)O)CNN |
3-methoxytyramine is a monomethoxybenzene that is dopamine in which the hydroxy group at position 3 is replaced by a methoxy group. It is a metabolite of the neurotransmitter dopamine and considered a potential biomarker of pheochromocytomas and paragangliomas. It has a role as a human blood serum metabolite, a human urinary metabolite and a biomarker. It is a member of phenols, a primary amino compound, a monomethoxybenzene and a phenylethylamine. It is functionally related to a dopamine. It is a conjugate base of a 3-methoxytyraminium. | COC1=C(C=CC(=C1)CCN)O |
3-Methoxytyrosine is a tyrosine derivative. | COC1=C(C=CC(=C1)CC(C(=O)O)N)O |
3-methylcholanthrene is a pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. It has a role as a carcinogenic agent and an aryl hydrocarbon receptor agonist. | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
Enprofylline is xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. It has a role as a non-steroidal anti-inflammatory drug, a bronchodilator agent, an anti-asthmatic drug and an anti-arrhythmia drug. | CCCN1C2=C(C(=O)NC1=O)NC=N2 |
3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has a role as a neurotoxin, an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an antimycobacterial drug and a mycotoxin. It is functionally related to a propionic acid. It is a conjugate acid of a 3-nitropropanoate. It is a tautomer of a 3-aci-nitropropanoic acid. | C(C[N+](=O)[O-])C(=O)O |
3,5-dichlorobenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester is a benzoate ester. | CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl |
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is a diarylmethane. | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione is an anthracycline. | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O |
4,5-dianilinophthalimide is phthalimide substituted at the 4- and 5-positions by anilino groups. It has a role as a tyrosine kinase inhibitor and a geroprotector. | C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4 |
4-[(2-aminophenyl)thio]butylphosphonic acid is a phosphonic acid having a 4-[(2-aminophenyl)thio]butyl attached to the phosphorus; reported to have herbicidal properties. It has a role as a herbicide and an EC 4.2.1.20 (tryptophan synthase) inhibitor. It is a member of phosphonic acids, an organic sulfide and a substituted aniline. | C1=CC=C(C(=C1)N)SCCCCP(=O)(O)O |
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is a member of quinazolines. | COC1=CC2=C(C=C1)N=CN=C2NCC3=CC4=C(C=C3)OCO4 |
4-amino-1,8-naphthalimide is a benzoisoquinoline and a dicarboximide. | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N |
4-aminopyridine is an aromatic amine that is pyridine bearing a single amino substituent at position 4. An orphan drug in the US, it is used to improve walking in adults with multiple sclerosis. It has a role as an avicide, a potassium channel blocker and an orphan drug. It is an aromatic amine and an aminopyridine. | C1=CN=CC=C1N |
P-chloromercuribenzoic acid is a mercuribenzoic acid and a chlorine molecular entity. It is functionally related to a benzoic acid. | C1=CC(=CC=C1C(=O)O)[Hg]Cl |
4-chloro-m-cresol is a hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. A ryanodine receptor agonist. It has a role as a ryanodine receptor agonist, an antimicrobial agent and a disinfectant. It is a hydroxytoluene and a member of monochlorobenzenes. | CC1=C(C=CC(=C1)O)Cl |
3-methyl-4-isoquinolinecarbonitrile is a member of isoquinolines. | CC1=C(C2=CC=CC=C2C=N1)C#N |
4-DAMP(1+) is a quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine. It has a role as a cholinergic antagonist and a muscarinic antagonist. | C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C |
Homovanillic acid is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a human metabolite and a mouse metabolite. It is a member of guaiacols and a monocarboxylic acid. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate. | COC1=C(C=CC(=C1)CC(=O)O)O |
4-hydroxybenzohydrazide is a carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine. It is a carbohydrazide and a member of phenols. It is functionally related to a 4-hydroxybenzoic acid. | C1=CC(=CC=C1C(=O)NN)O |
Imidazole-4-methanol is a member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4. It is a primary alcohol and a member of imidazoles. | C1=C(NC=N1)CO |
4-methoxytyramine is a monomethoxybenzene that is dopamine in which the hydroxy group at position 4 is replaced by a methoxy group. It has a role as a human metabolite and a rat metabolite. It is a monomethoxybenzene, a member of phenols, a primary amino compound and a phenylethylamine. It is functionally related to a dopamine. It is a conjugate base of a 4-methoxytyraminium. | COC1=C(C=C(C=C1)CCN)O |
4-nonylphenol is a member of the class of phenols that is phenol which is para-substituted with a nonyl group. It has a role as an environmental contaminant. | CCCCCCCCCC1=CC=C(C=C1)O |
3-oxo-1,8-octanedicarboxylic acid is an oxo carboxylic acid. | C(CCC(=O)CCC(=O)O)CCC(=O)O |
4-phenyl-3-furoxancarbonitrile is a 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation. It has a role as a geroprotector, a platelet aggregation inhibitor, a soluble guanylate cyclase activator, a vasodilator agent and a nitric oxide donor. It is a nitrile, a N-oxide, a 1,2,5-oxadiazole and a member of benzenes. | C1=CC=C(C=C1)C2=NO[N+](=C2C#N)[O-] |
5,5-dimethyl-1-pyrroline N-oxide is a member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation. It has a role as a neuroprotective agent and a spin trapping reagent. It is functionally related to a 5,5-dimethyl-1-pyrroline. | CC1(CCC=[N+]1[O-])C |
Phenytoin is a imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5. It has a role as an anticonvulsant, a teratogenic agent, a drug allergen and a sodium channel blocker. It is functionally related to a hydantoin. | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 |
8,11,14-icosatrien-5-ynoic acid is a trienoic fatty acid, that is icosanoic acid containing double bonds at positions 8, 11 and 14 and a triple bond at position 5. It has a role as a mouse metabolite. It is an acetylenic fatty acid, a trienoic fatty acid and a long-chain fatty acid. | CCCCCC=CCC=CCC=CCC#CCCCC(=O)O |
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is a member of quinolines. | C1=C(C=C(C2=C1NC(=CC2=O)C(=O)O)Cl)Cl |
Eicosa-5,8,11,14-tetraynoic acid is a long-chain fatty acid. | CCCCCC#CCC#CCC#CCC#CCCCC(=O)O |
5,8,11-icosatriynoic acid is a C20 polyunsaturated fatty acid having three triple bonds in the 5-, 8- and 11-positions. It has a role as an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a polyunsaturated fatty acid, an icosanoid, a long-chain fatty acid and an acetylenic fatty acid. | CCCCCCCCC#CCC#CCC#CCCCC(=O)O |
WIN VI is an aromatic ether. | CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NCCO3 |
Compound V(S) is an aromatic ether. | CC1COC(=N1)C2=CC=C(C=C2)OCCCCCC3=CC(=NO3)C |
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole is an isoxazole compound having a methyl substituent at the 3-position and a 5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl substituent at the 5-position. It has a role as an antiviral agent. It is a member of isoxazoles and a member of monochlorobenzenes. | CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)Cl |
WIN I(S) is an aromatic ether. | CC1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C |
Compound II(R/S) is an aromatic ether. | CC1COC(=N1)C2=CC(=C(C=C2)OCCCCCCCC3=CC(=NO3)C)Cl |
5-(N,N-hexamethylene)amiloride is a member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. It has a role as a sodium channel blocker, an apoptosis inducer, an antineoplastic agent and an odorant receptor antagonist. It is a member of pyrazines, an organochlorine compound, a member of azepanes, a member of guanidines, an aromatic amine and a monocarboxylic acid amide. It is functionally related to an amiloride. | C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N |
Ethylisopropylamiloride is a member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. It has a role as an anti-arrhythmia drug, a neuroprotective agent and a sodium channel blocker. It is a member of guanidines, an aromatic amine, an organochlorine compound, a tertiary amino compound, a member of pyrazines and a monocarboxylic acid amide. It is functionally related to an amiloride. | CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C |
5-nonyloxytryptamine is a tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has a role as a serotonergic agonist. It is a member of tryptamines, a primary amino compound and an aromatic ether. It is functionally related to a serotonin. It is a conjugate base of a 5-nonyloxytryptaminium(1+). | CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN |
5-carboxamidotryptamine is a member of tryptamines. | C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN |
5-deoxyglyasperin F is a hydroxyisoflavanone that is 2,3-dihydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5' and 7 and geminal methyl groups at position 2'. Isolated from the roots of Erythrina lysistemon, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a polyphenol and a hydroxyisoflavanone. | CC1(C=CC2=C(C=CC(=C2O1)C3COC4=C(C3=O)C=CC(=C4)O)O)C |
5-fluoro-1H-indole-2-carboxylic acid is an indolyl carboxylic acid. | C1=CC2=C(C=C1F)C=C(N2)C(=O)O |
5-Hydroxycapric acid is a medium-chain fatty acid. | CCCCCC(CCCC(=O)O)O |
(5-hydroxyindol-3-yl)acetic acid is a member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. It has a role as a drug metabolite, a human metabolite and a mouse metabolite. It is a conjugate acid of a (5-hydroxyindol-3-yl)acetate. | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
5-iodo-2-(oxaloamino)benzoic acid is an organoiodine compound. It is functionally related to a 2-(oxaloamino)benzoic acid. | C1=CC(=C(C=C1I)C(=O)O)NC(=O)C(=O)O |
2-(4-amino-5-iodo-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol is a nucleobase-containing molecular entity. | C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I |
5-methoxy-N,N-dimethyltryptamine is a tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. It has a role as a hallucinogen and a plant metabolite. It is a tryptamine alkaloid, an aromatic ether and a tertiary amino compound. It is functionally related to a bufotenin. | CN(C)CCC1=CNC2=C1C=C(C=C2)OC |
5-methoxytryptamine is a member of the class of tryptamines that is the methyl ether derivative of serotonin. It has a role as a serotonergic agonist, a human metabolite, a mouse metabolite, a 5-hydroxytryptamine 2A receptor agonist, a 5-hydroxytryptamine 2C receptor agonist, a 5-hydroxytryptamine 2B receptor agonist, an antioxidant, a radiation protective agent, a neuroprotective agent and a cardioprotective agent. It is a member of tryptamines, an aromatic ether and a primary amino compound. It is functionally related to a serotonin. It is a conjugate base of a 5-methoxytryptamine(1+). | COC1=CC2=C(C=C1)NC=C2CCN |
5-methyl-5-(4-phenoxyphenyl)barbituric acid is a member of barbiturates. | CC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OC3=CC=CC=C3 |
6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione is a quinoxaline derivative. | C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2 |
Phenanthridone is a member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. It has a role as a mutagen, an immunosuppressive agent and an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is a lactam and a member of phenanthridines. | C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O |
6-(1,3-dihydroxyisobutyl)thymine is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group. It is functionally related to a thymine. | CC1=C(NC(=O)NC1=O)CC(CO)CO |
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides. | CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl |
4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol is a member of catechols. | C1=C(C(=CC(=C1O)O)F)C(CN)O |
5,11-dihydroindolo[3,2-b]carbazole-12-carboxaldehyde is an indolocarbazole. | C1=CC=C2C(=C1)C3=CC4=C(C5=CC=CC=C5N4)C(=C3N2)C=O |
6-hydroxymelatonin is a member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. It has a role as a metabolite and a mouse metabolite. It is a member of acetamides and a member of tryptamines. It is functionally related to a melatonin. | CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O |
6-(3-hydroxypropyl)thymine is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group. It is a pyrimidone and a primary alcohol. It is functionally related to a thymine. | CC1=C(NC(=O)NC1=O)CCCO |
Adenosine, N-methyl- is a purine nucleoside. | CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O |
7,8-dihydroxyflavone is a dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. It has a role as a plant metabolite, a tropomyosin-related kinase B receptor agonist, an antidepressant, an antioxidant and an antineoplastic agent. | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O |
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine. | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl |
7-chlorokynurenic acid is a quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid. It has a role as a neuroprotective agent and a NMDA receptor antagonist. It is an organochlorine compound and a quinolinemonocarboxylic acid. | C1=CC2=C(C=C1Cl)NC(=CC2=O)C(=O)O |
4',7-dihydroxyflavanone is a dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7. It has a role as a Brassica napus metabolite and a fungal xenobiotic metabolite. It is a dihydroxyflavanone, a polyphenol and a member of 4'-hydroxyflavanones. It is functionally related to a flavanone. | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
7-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7. | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3 |
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine. | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO |
8,11-eicosadiynoic acid is a long-chain fatty acid. | CCCCCCCCC#CCC#CCCCCCCC(=O)O |
6-(6-amino-8-bromo-9-purinyl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol is a 3',5'-cyclic purine nucleotide. | C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)O |
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione is an oxopurine. | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3 |
Quinolin-8-ol is a monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. It has a role as an antibacterial agent, an iron chelator, an antiseptic drug and an antifungal agrochemical. It derives from a hydride of a quinoline. | C1=CC2=C(C(=C1)O)N=CC=C2 |
Octadeca-9,12-diynoic acid is an octadecadiynoic acid having its triple bonds at positions 9 and 12. | CCCCCC#CCC#CCCCCCCCC(=O)O |
Tacrine is a member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a member of acridines and an aromatic amine. It is a conjugate base of a tacrine(1+). | C1CCC2=NC3=CC=CC=C3C(=C2C1)N |
Ro 48-8071 is an aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase. It has a role as an EC 5.4.99.7 (lanosterol synthase) inhibitor and an antineoplastic agent. It is an aromatic ketone, an aromatic ether, a member of monofluorobenzenes, a member of bromobenzenes, a tertiary amino compound and an olefinic compound. It is functionally related to a benzophenone. It is a conjugate base of a Ro 48-8071(1+). | CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C |
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide is a sulfonic acid derivative and a member of naphthalenes. | C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCN |
Alpha-Hydroxytriazolam is a triazolobenzodiazepine. | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO |
Docebenone is a member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. It has a role as an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor and a ferroptosis inhibitor. It is a primary alcohol, an acetylenic compound and a member of 1,4-benzoquinones. | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C |
2-(1-amino-1-imino-2-methylpropan-2-yl)azo-2-methylpropanimidamide is a monoazo compound. | CC(C)(C(=N)N)N=NC(C)(C)C(=N)N |
5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-4-pyrido[2,3-d]pyrimidinamine is a member of bipyridines. | C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N |
Acebutolol is an ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. It has a role as a beta-adrenergic antagonist, an anti-arrhythmia drug, an antihypertensive agent and a sympathomimetic agent. It is a member of ethanolamines, a propanolamine, a secondary amino compound, an ether, a monocarboxylic acid amide and an aromatic amide. It is a conjugate base of an acebutolol(1+). | CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C |
Acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester is a member of quinuclidines. | CC(=O)OC1CN2CCC1CC2 |
Acemetacin is a carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin. It has a role as a prodrug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a N-acylindole, a monocarboxylic acid, a carboxylic ester, an indol-3-yl carboxylic acid and a member of monochlorobenzenes. It is functionally related to an indometacin. | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O |
Acephate is a phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group. It has a role as an acaricide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is a mixed diacylamine, a phosphoramide, an organic thiophosphate and an organothiophosphate insecticide. It is functionally related to a member of methamidophos. | CC(=O)NP(=O)(OC)SC |
Paracetamol is a member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. It has a role as a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a non-narcotic analgesic, an antipyretic, a non-steroidal anti-inflammatory drug, a cyclooxygenase 3 inhibitor, a xenobiotic, an environmental contaminant, a human blood serum metabolite, a hepatotoxic agent, a ferroptosis inducer and a geroprotector. It is a member of phenols and a member of acetamides. It is functionally related to a 4-aminophenol. | CC(=O)NC1=CC=C(C=C1)O |
Acetaminosalol is a carbonyl compound. | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
Acetarsol is a member of acetamides and an anilide. | CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O |
Acetazolamide is a sulfonamide, a member of thiadiazoles and a monocarboxylic acid amide. It has a role as a diuretic, an anticonvulsant and an EC 4.2.1.1 (carbonic anhydrase) inhibitor. It is a conjugate acid of an acetazolamide(1-). It derives from a hydride of a 1,3,4-thiadiazole. | CC(=O)NC1=NN=C(S1)S(=O)(=O)N |
Acetochlor is a monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a monocarboxylic acid amide, an organochlorine compound and an aromatic amide. It is functionally related to a N-phenylacetamide. | CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C |
Acetohexamide is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group. It has a role as a hypoglycemic agent and an insulin secretagogue. It is a N-sulfonylurea and a member of acetophenones. | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2 |
Acetohydroxamic acid is a member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group. It has a role as an EC 3.5.1.5 (urease) inhibitor and an algal metabolite. It is functionally related to an acetamide. It is a tautomer of a N-hydroxyacetimidic acid. | CC(=O)NO |
Methacholine is a quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis. It has a role as a muscarinic agonist, a bronchoconstrictor agent, an epitope, a cholinergic agonist and a vasodilator agent. It is a quaternary ammonium ion and an acetate ester. | CC(C[N+](C)(C)C)OC(=O)C |
N-acetyl-leucine is a leucine derivative and a N-acetyl-amino acid. | CC(C)CC(C(=O)O)NC(=O)C |
Acetylpheneturide is an organic molecular entity. | CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C |
N-acetylphenylalanine is the N-acetyl derivative of phenylalanine. It has a role as an antidepressant and a metabolite. It is a N-acetyl-amino acid and a phenylalanine derivative. | CC(=O)NC(CC1=CC=CC=C1)C(=O)O |
N-acetyltryptophan is an N-acetylamino acid that is the N-acetyl derivative of tryptophan. It has a role as a metabolite. It is a N-acetyl-amino acid and a tryptophan derivative. It is a conjugate acid of a N-acetyltryptophanate. | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
2-acetamido-3-(4-hydroxyphenyl)propanoic acid ethyl ester is a tyrosine derivative. | CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C |
Acexamic acid is a medium-chain fatty acid. | CC(=O)NCCCCCC(=O)O |
Acitazanolast is a member of tetrazoles. | C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2 |