anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O is (10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)CCl C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)CCl is 2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)O[C@H]1CCN2C[C@@H](N)CCC12 CC(=O)O[C@H]1CCN2C[C@@H](N)CCC12 is an indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1. It has the role of metabolite . It has the role of mycotoxin .  It is also related to or classified as acetate ester  . It is also related to or classified as indolizidine alkaloid .
The molecule Cc1c[nH]c2ccccc12 Cc1c[nH]c2ccccc12 is A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract. It has the role of mammalian metabolite . It has the role of human metabolite . It is also related to or classified as methylindole  .
The molecule CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl is 3,5-dichloro-N-[[(1S,5R)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule COc1ccc2c(OC)c3ccoc3nc2c1OC COc1ccc2c(OC)c3ccoc3nc2c1OC is Skimmianine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle , alkaloid antibiotic .
The molecule COC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 COC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 is LSM-1547. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 is A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as pentamethoxyflavone .
The molecule COC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl COC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl is 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F is 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC is 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .
The molecule C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)NC(=O)C6=CC=CC=C6 C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)NC(=O)C6=CC=CC=C6 is LSM-1675. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O CC1CCN(CC1)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-(4-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 CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O is 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC is 7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [Na+].[Na+].[H]O[H].[H]O[H].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N [Na+].[Na+].[H]O[H].[H]O[H].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N is A hydrate that is the dihydrate form of sodium nitroprusside. It has the role of vasodilator agent . It has the role of nitric oxide donor . It is also related to or classified as hydrate .
The molecule CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F is 2-[[2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-phenylacetic acid tert-butyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as peptide  .
The molecule COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl is 2-(N-(2-chloro-1-oxoethyl)-4-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 .
The molecule CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)COC CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)COC is N-tert-butyl-2-(4-tert-butyl-N-(2-methoxy-1-oxoethyl)anilino)-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC is phosphoric acid [(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl ester. It is also related to or classified as trialkyl phosphate .
The molecule C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1 is Solamargine. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .
The molecule C1=CC=C(C=C1)CN2C=CC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6 C1=CC=C(C=C1)CN2C=CC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6 is LSM-1786. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3 is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3 C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3 is 3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CCl C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CCl is 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1CN(CC(O1)C)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O CC1CN(CC(O1)C)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O is 3-(1,3-benzodioxol-5-yl)-1-(2,6-dimethyl-4-morpholinyl)-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 C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. It has the role of antineoplastic agent . It has the role of phytotoxin . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is solanidine . It is also related to or classified as glycoalkaloid , organic heterohexacyclic compound , steroid saponin , trisaccharide derivative .
The molecule CCOC(=O)CCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 CCOC(=O)CCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5 is LSM-1834. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C is 2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br is 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid.  It is also related to or classified as organobromine compound  . It is also related to or classified as biphenyls .
The molecule [Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1 [Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1 is the sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. It has the role of ionophore . It has the role of coccidiostat . It is also related to or classified as benzoates , organic sodium salt .
The molecule C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1 is Solasonine. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .
The molecule CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34 is 3H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C1CC(CCC1C2C(=O)C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)Cl C1CC(CCC1C2C(=O)C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)Cl is 3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,2,4-trione. It is also related to or classified as ring assembly , cyclic ketone , monochlorobenzenes .
The molecule CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H](C2C[C@H](C[C@@H](C2=O)C)C)O CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H](C2C[C@H](C[C@@H](C2=O)C)C)O is 2-[4-[(2R)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxo-1-piperidinyl]acetic acid ethyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3 CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3 is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-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 C[C@]12CCC3C(C1CC[C@@H]2C(=O)NC(C)(C)C)CCC4[C@@]3(C=CC(=O)N4)C C[C@]12CCC3C(C1CC[C@@H]2C(=O)NC(C)(C)C)CCC4[C@@]3(C=CC(=O)N4)C is (1S,9aR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC=C(C=C1)CC(=O)NC2=C3C(C4=C(C=CC5=CC=CC=C54)OC3=NC=N2)C6=CC=CC=C6 C1=CC=C(C=C1)CC(=O)NC2=C3C(C4=C(C=CC5=CC=CC=C54)OC3=NC=N2)C6=CC=CC=C6 is LSM-1873. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C is 17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)Br)NC3=O C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)Br)NC3=O is 5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=CC=CC(=C1OC)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 COC1=CC=CC(=C1OC)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 is LSM-1875. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC1(C)CCc2c(O1)ccc1c2oc2c1c(=O)oc1cc(O)ccc21 CC1(C)CCc2c(O1)ccc1c2oc2c1c(=O)oc1cc(O)ccc21 is A member of the class of  coumestans that is  coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10. It has the role of plant metabolite . Its functional parent is coumestan . It is also related to or classified as delta-lactone  . It is also related to or classified as phenols  . It is also related to or classified as coumestans  .
The molecule CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 is 1H-indole-3-carboxylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester. It is also related to or classified as indolyl carboxylic acid .
The molecule CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC is LSM-1859. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .
The molecule CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C is N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide. It is also related to or classified as homoallylic alcohol  .  It is also related to or classified as organic disulfide  . It is also related to or classified as formamides , aminopyrimidine .
The molecule CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1 CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1 is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as dihydroxyflavanone .
The molecule C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N is LSM-1925. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O is A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. It is also related to or classified as dinitrotoluene .
The molecule C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O is (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.  It is also related to or classified as triterpenoid  . It is also related to or classified as hemisuccinate .
The molecule COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC is LSM-1924. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN1[C@H]2CC3CC1C(C2O3)O CN1[C@H]2CC3CC1C(C2O3)O is LSM-1903.  It is also related to or classified as gitoxigenin  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule COC1=CC=CC(=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 COC1=CC=CC(=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6 is LSM-1891. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=CC=CC=C54 CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=CC=CC=C54 is 4-[(1-methyl-5-tetrazolyl)thio]-5-(1-naphthalenyl)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=CC=CC=C1NCC(=O)NNC=C2C=CC=N2 CC1=CC=CC=C1NCC(=O)NNC=C2C=CC=N2 is 2-(2-methylanilino)-N'-(2-pyrrolylidenemethyl)acetohydrazide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O is docosa-13,16,19-trienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCOC5=CC=CC=C54 COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCOC5=CC=CC=C54 is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F is 13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-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 CNC(=S)NN=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC CNC(=S)NN=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC is 1-(4-chlorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=NC=CS2 CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=NC=CS2 is 4-chlorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C is 3-(17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC(=O)OC2=CC(=C(C=C21)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O C1=CC(=O)OC2=CC(=C(C=C21)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O is 7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 is A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. It has the role of beta-adrenergic antagonist . It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .
The molecule CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C is 3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=N4 C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=N4 is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine.  It is also related to or classified as sulfonamide  . It is also related to or classified as pyridines .
The molecule CC(=O)C1=CC=CC(=C1)C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C CC(=O)C1=CC=CC(=C1)C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C is 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .
The molecule C1COC2=CC=CC=C2N1C3=NC=CC(=N3)NCC4=CC=CC=C4 C1COC2=CC=CC=C2N1C3=NC=CC(=N3)NCC4=CC=CC=C4 is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(phenylmethyl)-4-pyrimidinamine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O is 4-(1-oxoeicosa-5,8,11,14-tetraenylamino)butanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=NC2=C(S1)C(=O)C=C(NC1=CC=C(C)C=C1)C2=O CC1=NC2=C(S1)C(=O)C=C(NC1=CC=C(C)C=C1)C2=O is A member of the class of benzothiazoles that is 1,3-benzothiazole-4,7-dione substituted by methyl and (4-methylphenyl)amino groups at positions 2 and 5, respectively. It is an inhibitor of CDK4 and SETD8 and exhibits cytotoxicity towards a number of human cancer cell lines. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as aminotoluene , p-quinones , benzothiazoles , secondary amino compound .