anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C)C=CS3)OCC CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C)C=CS3)OCC is N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-5-thieno[3,2-b]pyrrolecarboxamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C(F)(F)F CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C(F)(F)F is 4-[(1-methyl-5-tetrazolyl)thio]-5-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC is Steganacin. It is also related to or classified as lactone  . It is also related to or classified as lignan  .
The molecule CCCCCCCCC1=C(CCCCCCCC(O)=O)C1 CCCCCCCCC1=C(CCCCCCCC(O)=O)C1 is A long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group. Its functional parent is octadec-9-enoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as cyclopropenyl fatty acid , monounsaturated fatty acid .
The molecule COC1=C(C=CC=C1O)[C@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O COC1=C(C=CC=C1O)[C@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O is 3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3 C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3 is (4-fluorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .
The molecule CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC is N-[(4-hydroxy-3-methoxyphenyl)methyl]eicosa-5,8,11,14-tetraenamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5 COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5 is 2-[8-(2-naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule [Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O [Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O is magnesium distearate. It is also related to or classified as organic magnesium salt , magnesium salt .
The molecule O=C1C=CC(=O)C2=C1C1C3=C(C=CC=C3)C2C2=C1C=CC=C2 O=C1C=CC(=O)C2=C1C1C3=C(C=CC=C3)C2C2=C1C=CC=C2 is A quinone that is 9,10-dihydroanthracene-1,4-dione that is a linked to a benzene ring via 9 and 10 positions. It is an inhibitor of the interaction between calcineurin and its substrate nuclear factor of activated T cells (NFAT). It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It is also related to or classified as quinone  . It is also related to or classified as organic heteropentacyclic compound .
The molecule CC(=O)NC1=CC=C(C=C1)C=CC2=NC(=C3C=CC=CC3=O)ON2 CC(=O)NC1=CC=C(C=C1)C=CC2=NC(=C3C=CC=CC3=O)ON2 is N-[4-[2-[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)NC3=CC=CC=C3 COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)NC3=CC=CC=C3 is 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule BrC1=CC2=C(NC3=C2CC(=O)NC2=CC=CC=C32)C=C1 BrC1=CC2=C(NC3=C2CC(=O)NC2=CC=CC=C32)C=C1 is an indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). It has the role of geroprotector . It has the role of cardioprotective agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It has the role of EC 2.7.11.26 (tau-protein kinase) inhibitor . Its functional parent is paullone .  It is also related to or classified as lactam  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolobenzazepine .
The molecule CN(C)C(=O)N1N=NN=C1CC1=CC=C(C=C1)C1=CC=CC=C1 CN(C)C(=O)N1N=NN=C1CC1=CC=C(C=C1)C1=CC=CC=C1 is A member of the class of tetrazoles that is 1H-tetrazole substituted by N,N-dimethylcarbonyl and [biphenyl]-4-ylmethyl groups at positions 1 and 5, respectively. It was developed by Eli Lilly as a potent inhibitor of anandamide re-uptake and fatty acid amide hydrolase, the enzyme responsible for degrading anandamide. It has the role of anxiolytic drug . It has the role of analgesic . It has the role of EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as biphenyls , tetrazoles .
The molecule C1COCCN1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] C1COCCN1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] is 2-(4-morpholinyl)-N-[(5-nitro-2-furanyl)methylideneamino]acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C(F)(F)F CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C(F)(F)F is N-[1-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide. It is also related to or classified as anilide  . It is also related to or classified as trifluoroacetamide .
The molecule CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC is phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule COC(=O)N1C(=O)[C@](N1C(=O)OC)(C2CCCC2)C3=CC=CC=C3 COC(=O)N1C(=O)[C@](N1C(=O)OC)(C2CCCC2)C3=CC=CC=C3 is (3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=C5C=CNC5=CC=C4 C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=C5C=CNC5=CC=C4 is 1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 is 4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3 COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3 is 2-(3-phenyl-1-indazolyl)acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule COC1=CC=C(C=C1)C=C(C#N)C#N COC1=CC=C(C=C1)C=C(C#N)C#N is tyrphostin 1. It has the role of geroprotector . It is also related to or classified as methoxybenzenes .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)C(F)(F)F CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)C(F)(F)F is 4-[(1-methyl-5-tetrazolyl)thio]-5-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3 CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3 is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=C(C=C4)OCO5 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=C(C=C4)OCO5 is 5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)OC CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)OC is 5-(4-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C is 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetic acid acetyloxymethyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N is 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O is LSM-2963. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=C4SC6=CC=CC=C56 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=C4SC6=CC=CC=C56 is 5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as dibenzothiophenes .
The molecule COC1=CC(=C(C(=C1)F)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)N)F COC1=CC(=C(C(=C1)F)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)N)F is 3-[[4-(2,6-difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule COC1=CC=C(C=C1)CC2CCN(CC2)C3=C4C=CSC4=NC=N3 COC1=CC=C(C=C1)CC2CCN(CC2)C3=C4C=CSC4=NC=N3 is 4-[4-[(4-methoxyphenyl)methyl]-1-piperidinyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as piperidines .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-] CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-] is 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32 C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32 is A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. It is also related to or classified as benzenes , quinazolines , secondary amino compound .
The molecule N[C@@H]1[C@@H](O)[C@H](N)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O N[C@@H]1[C@@H](O)[C@H](N)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O is streptamine 4-phosphate. Its functional parent is streptamine . It is also related to or classified as scyllo-inositol phosphate .
The molecule C1=CC(=CC(=C1)F)C(=O)NC2=NC=NN2 C1=CC(=CC(=C1)F)C(=O)NC2=NC=NN2 is 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H]C(=O)[C@@](O)([C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC)C=O [H]C(=O)[C@@](O)([C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC)C=O is an amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3. It has the role of metabolite . It is also related to or classified as amino disaccharide .
The molecule CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2 CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2 is 4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5 C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5 is A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. It has the role of hypoxia-inducible factor pathway activator . It is also related to or classified as biphenyls , pyridines , 1,2,4-triazines , secondary amino compound .
The molecule CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CC2CCCCC2 CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CC2CCCCC2 is N-[(4-acetamidophenyl)methylideneamino]-2-cyclohexylacetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=C4C=CSC4=NC=N3 COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=C4C=CSC4=NC=N3 is (4-methoxyphenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CN(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CN(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F is 1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-] is 2-(3-nitroanilino)-N-[(5-nitro-2-furanyl)methylideneamino]acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O is an N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of DNA synthesis inhibitor . It is also related to or classified as N-acylglucosamine  . It is also related to or classified as N-nitrosoureas .
The molecule CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C is heptanoic acid (2,2,6,6-tetramethyl-4-piperidinyl) ester. It is also related to or classified as fatty acid ester  .
The molecule N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O is a scyllo-inositol phosphate compound having a phosphate group in the 5-position and amino groups in place of hydroxy groups in the 1- and 3-positions. Its functional parent is streptamine . It is also related to or classified as scyllo-inositol phosphate .
The molecule COC1=C(C=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)F)OCC4=CC=CC=C4 COC1=C(C=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)F)OCC4=CC=CC=C4 is 4-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-phenyl-5-oxazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)([C@@H](COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O CC(C)([C@@H](COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O is (2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I is N'-[2-(4-iodophenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester. It is also related to or classified as organoiodine compound  .
The molecule C1=CC(=CC=C1C(=O)NCCN)Cl C1=CC(=CC=C1C(=O)NCCN)Cl is N-(2-aminoethyl)-4-chlorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1 Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1 is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as dihydroxyflavanone .
The molecule CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)Br CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)Br is A pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively.  It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as diamine  .   It is also related to or classified as pyridopyrimidine  . It is also related to or classified as aromatic amine , bromobenzenes , secondary amino compound .
The molecule [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CC[C@@H]3O [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CC[C@@H]3O is A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group.  It is also related to or classified as secondary alcohol  . It is also related to or classified as indenofuran , strigolactone .
The molecule CCSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2 CCSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2 is 2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine. It is also related to or classified as organic sulfide  . It is also related to or classified as 1,3,5-triazines .
The molecule CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)C4=CC=CC=C4 CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)C4=CC=CC=C4 is 2,4-dimethyl-6-phenyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC=C(C=C3)N(C)C)F)F CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC=C(C=C3)N(C)C)F)F is 1-(6,8-difluoro-2-methyl-4-quinolinyl)-3-[4-(dimethylamino)phenyl]urea. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4 C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4 is N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC is 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC is N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester. It is also related to or classified as benzimidazoles , carbamate ester .
The molecule CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3)OCC CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3)OCC is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Cl CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Cl is 5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4C(F)(F)F CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4C(F)(F)F is 4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1 is A ribose 5-triphosphate compound having a 2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-ylamino substituent at the 1-position. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as N-glycosyl compound  . It is also related to or classified as ribose triphosphate , pyrimidone , aminopyrimidine .
The molecule C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-] C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-] is N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as trifluoroacetamide , C-nitro compound .
The molecule C1=CSC(=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl C1=CSC(=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl is N'-[(4-chlorophenyl)-oxomethyl]-2-thiophen-2-yl-4-thiazolecarbohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1 C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1 is N-[6-[[(cyclohexylideneamino)oxy-oxomethyl]amino]hexyl]carbamic acid (cyclohexylideneamino) ester. It is also related to or classified as carbamate ester , organonitrogen compound .
The molecule COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl is 3-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)OC CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)OC is 5-(3-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .
The molecule CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC(=C(C=C4F)F)F CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC(=C(C=C4F)F)F is 2,4-dimethyl-6-[(2,4,5-trifluorophenyl)methyl]-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C is latrepirdine. It has the role of geroprotector . It is also related to or classified as methylpyridines , pyridoindole .
The molecule COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32 COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32 is 2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .