anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5 CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5 is 3-[[4-[methyl-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule [H][C@@]1(C[C@@](C)(O)C1)C1=NC(=C2N1C=CN=C2N)C1=CC2=C(C=C1)C=CC(=N2)C1=CC=CC=C1 [H][C@@]1(C[C@@](C)(O)C1)C1=NC(=C2N1C=CN=C2N)C1=CC2=C(C=C1)C=CC(=N2)C1=CC=CC=C1 is an imidazopyrazine that is imidazo[1,5-a]pyrazine substituted by 2-phenylquinolin-7-yl, cis-3-hydroxy-3-methylcyclobutyl, and amino groups at positions 1, 3, and 8, respectively. It is dual inhibitor of the IGF-1 receptor and insulin receptor (IC50 = 35 and 75 nM, respectively) that was previously in clinical development for the treatment of cancer and thyroid eye disease. It has the role of antineoplastic agent . It has the role of antimycobacterial drug . It has the role of apoptosis inducer . It has the role of insulin-like growth factor receptor 1 antagonist .    It is also related to or classified as tertiary alcohol  .  It is also related to or classified as imidazopyrazine  . It is also related to or classified as cyclobutanes , benzenes , quinolines , aromatic amine .
The molecule C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC is carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO is 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule [Ag] [Ag] is silver(0). It has the role of Escherichia coli metabolite . It is also related to or classified as elemental silver .
The molecule O=C(NCC#N)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2 O=C(NCC#N)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2 is A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of anti-anaemic agent . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as benzamides , aminopyrimidine , morpholines , secondary amino compound , tertiary amino compound .
The molecule CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N is A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as diazepinoindole , amino acid amide , pyrazoles .
The molecule CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N is A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 2-fluoro-5-methylphenyl group, while the other is substituted by a p-(3-amino-1H-indazol-4-yl)phenyl group. It is a potent, selective inhibitor of vascular endothelial growth factor and platelet-derived growth factor receptor tyrosine kinases. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as phenylureas , aromatic amine , indazoles .
The molecule [H][C@@]1(Oc2cc(O)cc(O)c2C(=O)[C@@H]1O)c1cc(O)c2O[C@]([H])([C@H](CO)c2c1)c1ccc(O)c(OC)c1 [H][C@@]1(Oc2cc(O)cc(O)c2C(=O)[C@@H]1O)c1cc(O)c2O[C@]([H])([C@H](CO)c2c1)c1ccc(O)c(OC)c1 is A flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase. It has the role of metabolite . It has the role of lipoxygenase inhibitor . It has the role of radical scavenger . It has the role of prostaglandin antagonist . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as polyphenol , aromatic ether , 1-benzofurans , flavonolignan .
The molecule COC1=CC=C(C=C1)S(=O)(=O)N(C(C)=O)C1=CC=CC=C1\C=C\C1=CC=[N+]([O-])C=C1 COC1=CC=C(C=C1)S(=O)(=O)N(C(C)=O)C1=CC=CC=C1\C=C\C1=CC=[N+]([O-])C=C1 is an N-sulfonylcarboxamide that is N-[(4-methoxyphenyl)sulfonyl]acetamide in which the hydrogen of the NH group is substituted by a 2-[(E)-2-(1-oxidopyridin-4-yl)ethenyl]phenyl group. It is a potent inhibitor of polo-like kinase 1 (PLK1) that exhibits antineoplastic activity. It has the role of EC 2.7.11.21 (polo kinase) inhibitor . It has the role of antineoplastic agent . It has the role of prodrug . It has the role of apoptosis inducer .    It is also related to or classified as N-sulfonylcarboxamide  . It is also related to or classified as monomethoxybenzene , pyridine N-oxides , olefinic compound .
The molecule CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=CC=CC(=N2)C(C)(C)O)C=C1 CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=CC=CC(=N2)C(C)(C)O)C=C1 is A member of the class of pyrazolopyrimidines that is 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one substituted by 6-(2-hydroxypropan-2-yl)pyridin-2-yl, prop-1-en-3-yl, [4-(4-methylpiperazin-1-yl)phenyl]amino groups at positions 1, 2, and 6, respectively. It is a potent and selective oral inhibitor of WEE1 kinase. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as pyridines , pyrazolopyrimidine , N-arylpiperazine , N-methylpiperazine , secondary amino compound .
The molecule CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F is 5-chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule CS(=O)(=O)C1=CC=CC(CNC2=NC(NC3=CC4=C(NC(=O)CC4)C=C3)=NC=C2C(F)(F)F)=C1 CS(=O)(=O)C1=CC=CC(CNC2=NC(NC3=CC4=C(NC(=O)CC4)C=C3)=NC=C2C(F)(F)F)=C1 is A quinolone that is 3,4-dihydroquinolin-2(1H)-one substituted by a [4-{[3-(methylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino group at position 6. It is a potent inhibitor of focal adhesion kinase (IC50 = 4 nM). It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of apoptosis inducer . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor .   It is also related to or classified as sulfone  . It is also related to or classified as organofluorine compound  . It is also related to or classified as benzenes , quinolone , aminopyrimidine , secondary amino compound .
The molecule [Si](O[Si](O[Si](C)(C)C)(C)C)(C)(C)C [Si](O[Si](O[Si](C)(C)C)(C)C)(C)(C)C is an organosiloxane that is trisiloxane in which all the hydrogens have been replaced by methyl groups. It is also related to or classified as organosiloxane .
The molecule [H][C@@]1(Oc2cc(ccc2O[C@@H]1CO)[C@@]1([H])Oc2cc(O)cc(O)c2C(=O)[C@@H]1O)c1ccc(O)c(OC)c1 [H][C@@]1(Oc2cc(ccc2O[C@@H]1CO)[C@@]1([H])Oc2cc(O)cc(O)c2C(=O)[C@@H]1O)c1ccc(O)c(OC)c1 is A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of hepatoprotective agent . It has the role of plant metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as polyphenol , aromatic ether , benzodioxine , flavonolignan .
The molecule CC(C1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC=CC=C4F)O CC(C1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC=CC=C4F)O is 6-[(2-fluorophenyl)methyl]-2-(1-hydroxyethyl)-4-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 C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O is (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule [Ag+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 [Ag+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 is silver(1+) sulfadiazinate. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is also related to or classified as silver salt , sulfonamidate , pyrimidines .
The molecule CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=C1C=CC(OC1=CC(=NC=C1)C1=NC=C(N1)C(F)(F)F)=C2 CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=C1C=CC(OC1=CC(=NC=C1)C1=NC=C(N1)C(F)(F)F)=C2 is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by methyl, [4-(trifluoromethyl)phenyl]amino, and {2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy groups at positions 1, 2, and 5, respectively. It is an inhibitor of RAF kinases, including the BRAF V600E mutant. It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of apoptosis inducer . It has the role of B-Raf inhibitor .       It is also related to or classified as organofluorine compound  . It is also related to or classified as benzimidazoles , imidazoles , pyridines , aromatic ether , substituted aniline , (trifluoromethyl)benzenes .
The molecule COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2OCOc2c1 is Simplexoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C is 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester. It is also related to or classified as cinnamate ester .
The molecule CCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC CCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC is butanoic acid [2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester. It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule CC(=O)O[C@@H]1CC2[C@](CCC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C CC(=O)O[C@@H]1CC2[C@](CCC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C is acetic acid [(1R,4bR,5R,10aR,12aR)-1-(3-furanyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,9,10,10b,11,12-octahydro-1H-naphtho[2,1-f][2]benzopyran-5-yl] ester. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC2=C(OC(N)=N2)C=C1 CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC2=C(OC(N)=N2)C=C1 is A 1,3-benzoxazole substituted by amino and 4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl groups at positions 2 and 5, respectively. It is a ATP-competitive inhibitor of mTORC1 and mTORC2 that exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of mTOR inhibitor . It has the role of apoptosis inducer . It is also related to or classified as aromatic amine , pyrazolopyrimidine , primary amino compound , 1,3-benzoxazoles .
The molecule COC1=CC2=C(OC3=C(F)C=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)C=CN=C2C=C1OCCCN1CCOCC1 COC1=CC2=C(OC3=C(F)C=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)C=CN=C2C=C1OCCCN1CCOCC1 is A quinoline substituted by 2-fluoro-4-[({1-[(4-fluorophenyl)carbamoyl]cyclopropyl}carbonyl)amino]phenoxy, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 4, 6 and 7, respectively. It is a multi-kinase inhibitor. It has the role of antineoplastic agent . It has the role of vascular endothelial growth factor receptor antagonist . It has the role of apoptosis inducer . It has the role of c-Met tyrosine kinase inhibitor .      It is also related to or classified as monofluorobenzenes  . It is also related to or classified as quinolines , aromatic ether , dicarboxylic acid diamide , morpholines , cyclopropanes .
The molecule CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC is 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester. It is also related to or classified as 2-methoxyethyl ester  . It is also related to or classified as dihydropyridine  .
The molecule C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N(C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7 C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N(C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7 is LSM-1312. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCOC(=O)CCCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 CCOC(=O)CCCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 is LSM-1287. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)OC)SC(=C2)S(=O)C CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)OC)SC(=C2)S(=O)C is 6-[(3-methoxyphenyl)methyl]-4-methyl-2-methylsulfinyl-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 CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N is 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]-2-propanamine. Its functional parent is serotonin . It is also related to or classified as tryptamines .
The molecule CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3[C@H]([C@@H]4[C@@H](O3)COP(=O)(O4)O)OC(=O)CCC CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3[C@H]([C@@H]4[C@@H](O3)COP(=O)(O4)O)OC(=O)CCC is butanoic acid [(4aS,7S,7aS)-2-hydroxy-2-oxo-6-[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester. It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule CCCC(=O)NC1=NC=NC2=C1N=CN2C3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC CCCC(=O)NC1=NC=NC2=C1N=CN2C3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC is butanoic acid [(4aR,7R,7aR)-2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester. It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2 CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2 is 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)N)SC(=C2)S(=O)C CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)N)SC(=C2)S(=O)C is 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-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 CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N is 2-aminopropanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CC(=O)OC1=C(C2=C(C=C1)C3C4=CC(=C(C(=C4CC3(CO2)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C CC(=O)OC1=C(C2=C(C=C1)C3C4=CC(=C(C(=C4CC3(CO2)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C is acetic acid (4,8,9,10-tetraacetyloxy-6a-hydroxy-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3-yl) ester. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O is 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylic acid propan-2-yl ester. It is also related to or classified as isopropyl ester  . It is also related to or classified as indolyl carboxylate ester .
The molecule C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O is (13S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule CCOC(=O)CC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 CCOC(=O)CC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 is LSM-1315. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC is carbamic acid (6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl) ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1NC(=O)CC(C(=O)O)N)OC2=CC(=C(C=C2Br)F)F C1=CC(=CC=C1NC(=O)CC(C(=O)O)N)OC2=CC(=C(C=C2Br)F)F is 2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC is 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(phenylthio)ethyl] ester. It is also related to or classified as dihydropyridine  .
The molecule COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)Cl)C(=O)CCl COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)Cl)C(=O)CCl is 2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC12CCC(=O)C(=O)C1CCC3C2CCC4(C3CCC4=O)C CC12CCC(=O)C(=O)C1CCC3C2CCC4(C3CCC4=O)C is 10,13-dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,4,17-trione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O is (13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(CC=C)O C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(CC=C)O is (13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O is 5-hydroxy-3-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O is 2-hydroxybenzoic acid (3,3,5-trimethylcyclohexyl) ester. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CCl COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CCl is 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1C(C(=O)C2=C(S1(=O)=O)C=CS2)C(=O)NC3=CC=CC=N3 CN1C(C(=O)C2=C(S1(=O)=O)C=CS2)C(=O)NC3=CC=CC=N3 is 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-thieno[2,3-e]thiazine-3-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O is (13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32 CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32 is 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1CC(CN(C1)C(=O)C[C@@H](C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C CC1CC(CN(C1)C(=O)C[C@@H](C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C is (3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 is N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule CC1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O CC1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O is 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H]1O CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H]1O is sisomycin.   It is also related to or classified as beta-L-arabinoside  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , monosaccharide derivative .
The molecule COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl is 2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .