anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is the pentaanion of 2-carboxyhexacosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-)  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A cardiolipin 72:8(2-) obtained by deprotonation of the phosphate OH groups of tetralinoleoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 72:8(2-)  .
The molecule CCCCOc1ccc(OCCCN2CCOCC2)cc1 CCCCOc1ccc(OCCCN2CCOCC2)cc1 is A member of the class of morpholines that is morpholine substituted at the nitrogen atom by a 3-(4-butoxyphenoxy)propyl group. It has the role of local anaesthetic . It is also related to or classified as aromatic ether , morpholines .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 72:7(2-)  .
The molecule CCCOc1nc2ccc(I)cc2c(=O)n1CCC CCCOc1nc2ccc(I)cc2c(=O)n1CCC is A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has the role of antifungal agrochemical .  It is also related to or classified as organoiodine compound  . It is also related to or classified as aromatic ether , quinazolines .
The molecule CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1 CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1 is A carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate. It is also related to or classified as amino acid amide , carbamate ester , valine derivative .
The molecule [H+].Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1 [H+].Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1 is an organic cation obtained by protonation of the imidazole group of (R)-eberconazole. It is a conjugate acid of (R)-eberconazole . It is also related to or classified as organic cation .
The molecule OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A dialkyl phosphate in which the alkyl group specified is perfluorooctyl. It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as organofluorine compound  . It is also related to or classified as dialkyl phosphate .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A cardiolipin 70:6(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 70:6(2-)  .
The molecule Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 is A pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5. Its functional parent is CTP . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside 5'-triphosphate .
The molecule O[N+]([O-])=O.Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1 O[N+]([O-])=O.Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1 is an organic nitrate salt obtained by reaction of equimolar amounts of (S)-eberconazole and nitric acid. It is also related to or classified as organic nitrate salt .
The molecule O[N+]([O-])=O.Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 O[N+]([O-])=O.Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is an organic nitrate salt obtained by reaction of equimolar amounts of (S)-fenticonazole and nitric acid. It is also related to or classified as organic nitrate salt .
The molecule Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is A member of the class of imidazoles that carries a 2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl group at position 1. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles , aryl sulfide .
The molecule Clc1cc(Cl)c2C(c3ccccc3CCc2c1)n1ccnc1 Clc1cc(Cl)c2C(c3ccccc3CCc2c1)n1ccnc1 is A member of the class of dibenzannulenes that is 10,11-dihydrodibenzo[a,d][7]annulene carrying two chloro substituents at positions 2 and 4 as well as an imidazol-1-yl substituent at position 5.  It is also related to or classified as dibenzannulene  . It is also related to or classified as organochlorine compound  . It is also related to or classified as imidazoles .
The molecule CCOC(=O)C1=C(C)NC(C)=C(C1C)C(=O)OCC CCOC(=O)C1=C(C)NC(C)=C(C1C)C(=O)OCC is A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5. It has the role of hepatic steatosis inducing agent . It is also related to or classified as ethyl ester  . It is also related to or classified as dihydropyridine  .
The molecule [H+].Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1 [H+].Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1 is an organic cation obtained by protonation of the imidazole group of (S)-eberconazole. It is a conjugate acid of (S)-eberconazole . It is also related to or classified as organic cation .
The molecule COC(=O)CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 COC(=O)CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 is A carboxamide resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)valine with the amino group of methyl 3-amino-3-(4-chlorophenyl)propanoate.  It is also related to or classified as methyl ester  .  It is also related to or classified as carboxamide  . It is also related to or classified as carbamate ester , valine derivative , monochlorobenzenes .
The molecule [Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC [Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC is an organic sodium salt that is the sodium salt of pravastatin. A reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA), it is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. It has the role of anticholesteremic drug . It is also related to or classified as organic sodium salt , statin (semi-synthetic) .
The molecule COC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 COC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 is A methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3R)-3-amino-3-(4-chlorophenyl)propanoate. It is also related to or classified as methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate  .
The molecule COc1cc(CCNC(=O)C(OCC#C)c2ccc(Cl)cc2)ccc1OCC#C COc1cc(CCNC(=O)C(OCC#C)c2ccc(Cl)cc2)ccc1OCC#C is A monocarboxylic acid amide resulting from the condensation of the carboxy group of p-chloromandelic acid propargyl ether with the amino group of 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethylamine. It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as aromatic ether , monochlorobenzenes .
The molecule O[N+]([O-])=O.Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1 O[N+]([O-])=O.Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1 is an organic nitrate salt obtained by reaction of equimolar amounts of (R)-eberconazole and nitric acid. It is also related to or classified as organic nitrate salt .
The molecule CCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of dodecanoyl-AMP; the major species at pH 7.3. It is also related to or classified as saturated fatty acyl-AMP(1-)  . It is also related to or classified as medium-chain fatty acyl-AMP(1-)  . It is also related to or classified as fatty acyl-AMP(1-)  .
The molecule CCCCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of tetradecanoyl-AMP; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-AMP(1-)  . It is also related to or classified as long-chain fatty acyl-AMP(1-)  .
The molecule COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 is A methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate. It is also related to or classified as methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate  .
The molecule O[N+]([O-])=O.Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 O[N+]([O-])=O.Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is an organic nitrate salt obtained by reaction of equimolar amounts of (R)-fenticonazole and nitric acid. It is also related to or classified as organic nitrate salt .
The molecule CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O is A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2. It is also related to or classified as dinitrophenol  .
The molecule [H+].Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 [H+].Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is an organic cation obtained by protonation of the imidazole group of (R)-fenticonazole. It is a conjugate acid of (R)-fenticonazole . It is also related to or classified as organic cation .
The molecule COCC(C)N(C(=O)CCl)c1c(C)csc1C COCC(C)N(C(=O)CCl)c1c(C)csc1C is an  organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom. It is also related to or classified as ether  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as thiophenes , aromatic amide .
The molecule CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 is A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has the role of hypoglycemic agent . It has the role of plant metabolite . It has the role of food antioxidant . It is also related to or classified as gallate ester .
The molecule N(N=C(CC)CC)C1=NC(=CS1)C2=CC=C(C=C2)Cl N(N=C(CC)CC)C1=NC(=CS1)C2=CC=C(C=C2)Cl is A member of the class of 1,3-thiazoles that is 2-[2-(pentan-3-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4. It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor .  It is also related to or classified as hydrazone  . It is also related to or classified as 1,3-thiazoles , monochlorobenzenes .
The molecule CCCCCCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of hexadecanoyl-AMP; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-AMP(1-)  . It is also related to or classified as long-chain fatty acyl-AMP(1-)  .
The molecule CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O is A dipeptide obtained from the tetrapeptide Cys-Val-Phe-Met by reduction of the amide carbonyl groups of the Cys and Val residues. It has the role of peptidomimetic . It has the role of EC 2.5.1.58 (protein farnesyltransferase) inhibitor . It is also related to or classified as dipeptide  .
The molecule COC(=O)\C=C(/C)CC[C@@H]1O[C@@]1(C)CC[C@H]1OC1(C)C COC(=O)\C=C(/C)CC[C@@H]1O[C@@]1(C)CC[C@H]1OC1(C)C is A juvenile hormone that is methyl farnesoate in which the 6,7 and 10,11-double bonds have been epoxidised. It has the role of animal metabolite . Its functional parent is methyl farnesoate .  It is also related to or classified as epoxide  . It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as juvenile hormone .
The molecule COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 is A diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes. It has the role of antifungal agrochemical . It is also related to or classified as diastereoisomeric mixture , acylamino acid fungicide .
The molecule O[N+]([O-])=O.Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 O[N+]([O-])=O.Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is A racemate comprising equimolar amounts of (R)- and (S)-fenticonazole nitrate. Used for the treatment of vaginal candidiasis. It has the role of antibacterial drug . It is also related to or classified as racemate , imidazole antifungal drug , conazole antifungal drug .
The molecule COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 is A member of the class of  piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively. It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as furans , piperazines , aromatic ether , quinazolines .
The molecule [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is an organic cation obtained by protonation of the imidazole group of (S)-fenticonazole. It is a conjugate acid of (S)-fenticonazole . It is also related to or classified as organic cation .
The molecule CCc1cccc(C)c1N(C(C)COC)C(=O)C(O)=O CCc1cccc(C)c1N(C(C)COC)C(=O)C(O)=O is A monocarboxylic acid that is oxoacetic acid substituted by a (2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino group at position 2.  It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid , aromatic amide .
The molecule CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O is A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6. It is also related to or classified as organobromine compound  . It is also related to or classified as pyrimidone .
The molecule COC(=O)[C@@H]1O[C@@]1(C)CC\C=C(/C)CC[C@H]1OC1(C)C COC(=O)[C@@H]1O[C@@]1(C)CC\C=C(/C)CC[C@H]1OC1(C)C is A juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali. It has the role of animal metabolite . Its functional parent is methyl farnesoate .  It is also related to or classified as epoxide  . It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as juvenile hormone .
The molecule Clc1nsc(C(=O)Nc2ccccc2C#N)c1Cl Clc1nsc(C(=O)Nc2ccccc2C#N)c1Cl is A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast. It has the role of antifungal agrochemical . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,2-thiazoles , anilide fungicide .
The molecule CCc1cccc(C)c1N(C(C)COC)C(=O)CCl CCc1cccc(C)c1N(C(C)COC)C(=O)CCl is an  organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom.  It is also related to or classified as ether  . It is also related to or classified as organochlorine compound  . It is also related to or classified as benzenes , aromatic amide .
The molecule CC(C)=NNc1nc(cs1)-c1ccc(Cl)cc1 CC(C)=NNc1nc(cs1)-c1ccc(Cl)cc1 is A member of the class of 1,3-thiazoles that is 2-[2-(propan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4. It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor .  It is also related to or classified as hydrazone  . It is also related to or classified as 1,3-thiazoles , monochlorobenzenes .
The molecule COc1cc(CN=C=S)cc(OC)c1OC COc1cc(CN=C=S)cc(OC)c1OC is A member of the class of isothiocyanates in which the substituent attached to nitrogen is specified as 3,4,5-trimethoxybenzyl. It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor .  It is also related to or classified as isothiocyanate  . It is also related to or classified as methoxybenzenes .
The molecule O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCC)CCCCCCCC(=O)[O-] O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCC)CCCCCCCC(=O)[O-] is A long-chain fatty acid anion that is the conjugate base of 9-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of hypoglycemic agent . It has the role of anti-inflammatory agent . It has the role of human metabolite . It is also related to or classified as FAHFA anion  . It is also related to or classified as long-chain fatty acid anion  .
The molecule [NH3+][C@@H](CCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C([O-])=O [NH3+][C@@H](CCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C([O-])=O is an organophosphate oxoanion that is CMP(2-) in which the 2-keto group on the cytosine ring is substituted by an epsilon-L-lysyl residue. Major structure at pH 7.3 (according to Marvin v. 6.2.0). It is also related to or classified as organophosphate oxoanion .
The molecule [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 is an organic cation obtained by protonation of the imidazole group of (S)-isoconazole. It is a conjugate acid of (S)-isoconazole . It is also related to or classified as organic cation .
The molecule [H+].Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 [H+].Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 is an organic cation obtained by protonation of the imidazole group of (R)-isoconazole. It is a conjugate acid of (R)-isoconazole . It is also related to or classified as organic cation .
The molecule CC\C(C)=N\Nc1nc(cs1)-c1ccc(Cl)cc1 CC\C(C)=N\Nc1nc(cs1)-c1ccc(Cl)cc1 is A member of the class of 1,3-thiazoles that is 2-[2-(butan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4. It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor .  It is also related to or classified as hydrazone  . It is also related to or classified as 1,3-thiazoles , monochlorobenzenes .
The molecule Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 is A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC([O-])=O CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC([O-])=O is A long-chain fatty acid anion that is the conjugate base of 5-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of hypoglycemic agent . It has the role of anti-inflammatory agent . It has the role of human metabolite . It is also related to or classified as long-chain fatty acid anion  .
The molecule CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of Hsp90 inhibitor . It is also related to or classified as monocarboxylic acid amide  .   It is also related to or classified as isoxazoles  . It is also related to or classified as resorcinols , morpholines , aromatic amide .
The molecule CC(C)(C)c1ccc(cc1)C(=CC(=O)N1CCOCC1)c1ccc(Cl)nc1 CC(C)(C)c1ccc(cc1)C(=CC(=O)N1CCOCC1)c1ccc(Cl)nc1 is an enamide resulting from the formal condensation of 3-(p-tert-butylphenyl)-3-(6-chloropyridin-2-yl)acrylic acid with the amino group of morpholine. A fungicide developed in China, it shows high antifungal activity against diseases caused by Phytophthora infestans, Phytophthora capsici, Rhizoctonia solani, Peronophythora litchi, and Pseudoperonospora cubensis. It has the role of fungicide . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as enamide  . It is also related to or classified as morpholines , chloropyridine .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC([O-])=O CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC([O-])=O is A long-chain fatty acid anion that is the conjugate base of 13-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of hypoglycemic agent . It has the role of anti-inflammatory agent . It has the role of human metabolite . It is also related to or classified as long-chain fatty acid anion  .
The molecule COc1ccc2C=CC(C)(C)Oc2c1 COc1ccc2C=CC(C)(C)Oc2c1 is A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2. It has the role of precocenes . It has the role of plant metabolite . It is also related to or classified as chromenes , aromatic ether .