anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO is (2R,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule [H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C [H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C is A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. It has the role of metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .
The molecule [Na+].[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1\N=N\c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O [Na+].[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1\N=N\c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O is an organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring. It has the role of histological dye . It has the role of food colouring . It is also related to or classified as organic sodium salt .
The molecule COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 is 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule N1C2=CC=CC=C2OC2=CC=CC=C12 N1C2=CC=CC=C2OC2=CC=CC=C12 is A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. It has the role of ferroptosis inhibitor . It has the role of radical scavenger . It is also related to or classified as phenoxazine .
The molecule CCOC(=O)C1=NNC(=S)NC1=O CCOC(=O)C1=NNC(=S)NC1=O is 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid ethyl ester. It is also related to or classified as triazines , thiocarbonyl compound .
The molecule CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] is 2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester. It is also related to or classified as aromatic ether , C-nitro compound .
The molecule CCC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC CCC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC is 2-(9-ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C is A pentacyclic triterpenoid that is taraxastane with a beta-hydroxy group at position 3. It has the role of metabolite . It has the role of anti-inflammatory agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .
The molecule CCN(CC)S(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O CCN(CC)S(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O is 5-(diethylsulfamoyl)-3-hydroxy-2-naphthalenecarboxylic acid. It is also related to or classified as naphthalenes , sulfonic acid derivative .
The molecule CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C is 8,10-dimethyl-4-(2-methylphenyl)-1,3-dihydropyrido[2,3]thieno[2,4-d][1,4]diazepine-2,5-dione. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule COC1=CC(=C2C(=O)C[C@@H](OC2=C1)C3=CC=CC=C3)O COC1=CC(=C2C(=O)C[C@@H](OC2=C1)C3=CC=CC=C3)O is (2R)-5-hydroxy-7-methoxy-2-phenyl-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 C1CCN(C1)C2=NN(N=N2)CC(=NO)C3=CC=C(C=C3)Cl C1CCN(C1)C2=NN(N=N2)CC(=NO)C3=CC=C(C=C3)Cl is 1-(4-chlorophenyl)-2-[5-(1-pyrrolidinyl)-2-tetrazolyl]ethanone oxime.  It is also related to or classified as ketoxime  . It is also related to or classified as dialkylarylamine , tetrazoles , pyrrolidines , tertiary amino compound .
The molecule CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)O CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)O is 2,5-ditert-butyl-4-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1CC(=O)O[C@@H](CNC(=O)[C@@H](CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 C1CC(=O)O[C@@H](CNC(=O)[C@@H](CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 is N-[(4-chlorophenyl)methyl]-2-[(2R,6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O C[C@H]1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O is (3S,4R,5S)-5-methyl-2,3-diphenyl-4-isoxazolidinecarboxylic acid. It is also related to or classified as oxazole  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=CC=CC=C4C=C3)C#N CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=CC=CC=C4C=C3)C#N is LSM-4709. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C is 2,2-dimethylpropanoic acid [[1-[bis[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]-1-(4-hydroxyphenoxy)ethyl]-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester. Its functional parent is tetracarboxylic acid . It is also related to or classified as pivalate ester  . It is also related to or classified as organooxygen compound .
The molecule C1=C(C=NC=C1Br)C(=O)NCCC(=O)O C1=C(C=NC=C1Br)C(=O)NCCC(=O)O is 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]propanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O)O COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O)O is 2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 CC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 is an acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid. Its functional parent is (+)-taxifolin . It is also related to or classified as 4'-hydroxyflavanones  .  It is also related to or classified as acetate ester  . It is also related to or classified as tetrahydroxyflavanone , 3'-hydroxyflavanones .
The molecule CCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)NC(=S)N3 CCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)NC(=S)N3 is 5-ethyl-3-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)-1H-indol-2-one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO is A pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold). It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It is also related to or classified as hydroxamic acid , pyridoindole , tertiary amino compound .
The molecule COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)O COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)O is 2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5 C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5 is 2-furancarboxylic acid [3-[[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] ester. 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#CC2=CCCN(C2=O)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC COC1=CC=C(C=C1)C#CC2=CCCN(C2=O)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC is LSM-4819. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)F C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)F is A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and (3-fluorophenyl)nitrilo groups, respectively.     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridines , quinazolines , substituted aniline , secondary amino compound , aromatic amine .
The molecule CN(CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC)CCOC3=C(C=C(C=C3OC)C=CC(=O)N4CCC=CC4=O)OC CN(CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC)CCOC3=C(C=C(C=C3OC)C=CC(=O)N4CCC=CC4=O)OC is LSM-4821. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule CCOC(=O)CCC1=NNC(=O)NC1=O CCOC(=O)CCC1=NNC(=O)NC1=O is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester. It is also related to or classified as fatty acid ester  .
The molecule CCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3 CCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3 is 1'-ethyl-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC is LSM-4886. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CCCCC1=CC2=C(NC(NC(=O)OC)=N2)C=C1 CCCCC1=CC2=C(NC(NC(=O)OC)=N2)C=C1 is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (methoxycarbonyl)amino and butyl groups at positions 2 and 5, respectively. It is a potent inhibitor of microtubule assembly and also exhibits anthelminthic activity. It has the role of anthelminthic drug . It has the role of antinematodal drug . It has the role of antineoplastic agent . It has the role of microtubule-destabilising agent . It is also related to or classified as benzimidazoles , carbamate ester .
The molecule COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 is A monohydroxyflavone that is  flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. It has the role of antineoplastic agent . It has the role of antidiarrhoeal drug . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as monohydroxyflavone .
The molecule CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-] CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-] is 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl is tebufenpyrad. It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It is also related to or classified as pyrazole insecticide , pyrazole acaricide .
The molecule CCOC1=CC=CC=C1N1C(=O)C2=CC=CC=C2N=C1C(C)N1CCN(CC1)C(=O)COC1=CC=C(Cl)C=C1 CCOC1=CC=CC=C1N1C(=O)C2=CC=CC=C2N=C1C(C)N1CCN(CC1)C(=O)COC1=CC=C(Cl)C=C1 is A member of the class of quinazolines that is quinazolin-4(3H)-one in which the hydrogens at positions 2 and 3 are replaced by 1-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}ethyl and 2-ethoxyphenyl groups, respectively. It is an inhibitor of voltage-dependent anion-selective channels (VDAC2 and VDAC3) and a potent ferroptosis inducer. It has the role of ferroptosis inducer . It has the role of voltage-dependent anion channel inhibitor . It has the role of antineoplastic agent . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as aromatic ether , quinazolines , diether , N-acylpiperazine , N-alkylpiperazine , monochlorobenzenes .
The molecule CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)CCN(C)C CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)CCN(C)C is acetic acid [3-[3-(dimethylamino)-1-oxopropyl]-5-benzofuranyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O is 5'-nitro-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 C1=CC=C(C=C1)CN2C3=CC=CC=C3C4(C2=O)NNC5=CC=CC=C5O4 C1=CC=C(C=C1)CN2C3=CC=CC=C3C4(C2=O)NNC5=CC=CC=C5O4 is 1'-(phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN(C)CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC CN(C)CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC is LSM-4818. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F is LSM-4820. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O is A glycosyloxyisoflavone that is  tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is tectorigenin . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside  . It is also related to or classified as hydroxyisoflavone , methoxyisoflavone , monosaccharide derivative .
The molecule C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F is (7R,8S,9S,13S,14R,17S)-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 COC1=CC=C(C=C1)C(=O)CC1(O)C(=O)NC2=C(Cl)C=CC(Cl)=C12 COC1=CC=C(C=C1)C(=O)CC1(O)C(=O)NC2=C(Cl)C=CC(Cl)=C12 is A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one substituted by hydroxy, 2-(4-methoxyphenyl)-2-oxoethyl, chloro, and chloro groups at positions 3, 3, 4, and 7, respectively. It blocks RNA helicase A binding to EWS-FLI1, induces apoptosis, and exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of apoptosis inducer .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as indolones , monomethoxybenzene , aromatic ketone .
The molecule O=C(CCCCCCCN1C=C(N=N1)C1=CN=CC=C1)NC1=CC=CC=C1C1=CC=CC=C1 O=C(CCCCCCCN1C=C(N=N1)C1=CN=CC=C1)NC1=CC=CC=C1C1=CC=CC=C1 is A biphenyl that is substituted by a {8-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]octanoyl}amino group at position 2. It has the role of autophagy inducer . It has the role of EC 2.4.2.12 (nicotinamide phosphoribosyltransferase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as biphenyls , pyridines , triazoles .
The molecule CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O is LSM-5004. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C is A member of the class of  benzimidazoles  used widely in the treatment of hypertension. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of angiotensin receptor antagonist . It has the role of environmental contaminant . It is also related to or classified as carboxybiphenyl , benzimidazoles , biphenyls .
The molecule CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N is 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound .
The molecule C[C@]12CC[C@]3([C@]([C@@]1(CC[C@]2(C)O)[H])(CC[C@@]4([C@@]3(CC(C(=O)C4)C=O)C)[H])[H])[H] C[C@]12CC[C@]3([C@]([C@@]1(CC[C@]2(C)O)[H])(CC[C@@]4([C@@]3(CC(C(=O)C4)C=O)C)[H])[H])[H] is (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxaldehyde.  It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid aldehyde .
The molecule CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC is N-[6-(propan-2-ylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester. It is also related to or classified as benzimidazoles , carbamate ester .
The molecule C[C@]1(CO[C@H]([C@@H]([C@@H]1NC)O)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2O)OC3C(CC=C(O3)CN)N)N)N)O C[C@]1(CO[C@H]([C@@H]([C@@H]1NC)O)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2O)OC3C(CC=C(O3)CN)N)N)N)O is (2S,3R,4S,5S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule COC1=CC(=CC(=C1OCCN(CCOC2=C(C=C(C=C2OC)C=CC(=O)N3CCC=CC3=O)OC)CCOC4=C(C=C(C=C4OC)C=CC(=O)N5CCC=CC5=O)OC)OC)C=CC(=O)N6CCC=CC6=O COC1=CC(=CC(=C1OCCN(CCOC2=C(C=C(C=C2OC)C=CC(=O)N3CCC=CC3=O)OC)CCOC4=C(C=C(C=C4OC)C=CC(=O)N5CCC=CC5=O)OC)OC)C=CC(=O)N6CCC=CC6=O is LSM-4925. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C is LSM-5011. It is also related to or classified as 2-methoxyethyl ester  . It is also related to or classified as dihydropyridine  .
The molecule CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O is butanedioic acid O4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester. It is also related to or classified as aminoglycoside .
The molecule CN[C@H]1[C@H](C2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)OC1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O CN[C@H]1[C@H](C2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)OC1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O is (2R,3R,4S,5S,6S)-2-[[(3S,4R,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1 COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1 is A hydroxyflavan that is  (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively. It has the role of plant metabolite . It is also related to or classified as hydroxyflavan , methoxyflavan .
The molecule Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2 Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2 is temoporfin. It has the role of photosensitizing agent . It is also related to or classified as chlorins  .
The molecule CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] is cobalt(3+) [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1S,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate cyanide. It is also related to or classified as cobalt corrinoid .
The molecule CC=C1C(=O)CC2[C@]1(CCC3C2CCC4=CC(=O)CC[C@@]34C)C CC=C1C(=O)CC2[C@]1(CCC3C2CCC4=CC(=O)CC[C@@]34C)C is LSM-5093. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2C=CC(=O)OC(C)(C)C CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2C=CC(=O)OC(C)(C)C is 2,6-dimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as cinnamate ester .
The molecule CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC3=NON=C32)C(=O)OC(C)C)C CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC3=NON=C32)C(=O)OC(C)C)C is 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester. It is also related to or classified as methyl ester  . It is also related to or classified as isopropyl ester  . It is also related to or classified as benzoxadiazole .