anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C is an aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. It has the role of antineoplastic agent . It has the role of HIV protease inhibitor .   It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as benzamides , organic heterobicyclic compound , aryl sulfide , tertiary amino compound .
The molecule CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@H](NC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@H](NC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is an amino hexasaccharide comprising beta-D-glucose, N-acetyl-beta-D-galactosamine, alpha-D-glucose, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues in (1->3), (1->4), (1->4) and (1->3) sequence, to the N-acetyl-beta-D-galactosamine residue contiguous to the reducing-end mannose residue of which is also linked (1->3) a further beta-D-glucose residue. It is also related to or classified as amino hexasaccharide .
The molecule O([C@@H](COP(=O)(OCC[NH3+])[O-])COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\C/C=C\CCCCC)=O O([C@@H](COP(=O)(OCC[NH3+])[O-])COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\C/C=C\CCCCC)=O is A phosphatidylethanolamine 36:3 obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-linoleoyl-sn-glycerol-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:3 zwitterion  .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O is A dimeric disaccharide derivative formed from 2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate. It is also related to or classified as disaccharide derivative .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O is A disaccharide derivative consisting of an N-acetyl-alpha-D-glucosaminyl residue linked (1->3) to an alpha-D-glucoside residue, the anomeric carbon of which is linked to O-2 of D-glyceric acid and the O-6 of which is connecteded via a phospho linkage to a 5-aminopentyl group. It is also related to or classified as disaccharide derivative .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O is A glycosylglucose in which the glycosyl moiety is L-rhamnose linked alpha to C-3 of beta-D-glucose. It is also related to or classified as glycosylglucose .
The molecule O(C(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+] O(C(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+] is A phosphatidylethanolamine 36:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:2 zwitterion  .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A branched pentasaccharide consisting of alpha-L-rhamnose, beta-D-glucose and two alpha-D-glucose residues in (1->3), (1->4) and (1->2) sequence, to the non-reducing-end glucose residue of which is also linked (1->3) an alpha-L-rhamnose residue. It is also related to or classified as pentasaccharide .
The molecule [H][C@@]1(CCCCN1)CC(=O)C[C@@]1([H])CCCCN1 [H][C@@]1(CCCCN1)CC(=O)C[C@@]1([H])CCCCN1 is A piperidine alkaloid that is piperidine substituted by a 2-oxo-3-[(2R)-piperidin-2-yl]propyl group at position 2. It has the role of plant metabolite . It is also related to or classified as ketone  . It is also related to or classified as piperidine alkaloid .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1NC(C)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1NC(C)=O is A disaccharide derivative comprising two N-acetyl-alpha-D-glucosamine residues linked (1->3), with a 6-aminopentylphospho group linked to each O-6 and with the anomeric carbon at the reducing end linked (1->2) to the O-2 of D-glyceric acid. It is also related to or classified as disaccharide derivative .
The molecule O=C(O[C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])[H])CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC O=C(O[C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])[H])CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC is A phosphatidylcholine 40:4 in which the two acyl substituents at positions 1 and 2 are specified as icosanoyl and arachidonoyl respectively. Its functional parent is icosanoic acid . It is also related to or classified as phosphatidylcholine 40:4  . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine  .
The molecule CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-tyrosine and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-tyrosine and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-tyrosine and L-lysine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 is A flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5, 7, 3' and 4' and a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residue via C-glycosidic linkages at positions 6 and 8 respectively. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as flavone C-glycoside .
The molecule CCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as lauroyl (dodecanoyl). It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as dodecanoate ester  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](C)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](C)C(O)=O is A dipeptide formed from L-valine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O is A dipeptide formed from L-valine and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O is A dipeptide formed from L-valine and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A dipeptide formed from L-tyrosine and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O is A dipeptide formed from L-valine and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A dipeptide formed from L-valine and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O is A dipeptide formed from L-valine and L-lysine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A dipeptide formed from L-tyrosine and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O is A dipeptide formed from L-valine and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule O(C[C@@H](C(=O)[O-])[NH3+])P(=O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)O)[O-] O(C[C@@H](C(=O)[O-])[NH3+])P(=O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)O)[O-] is A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-palmitoyl-sn-glycero-3-phosphoserine. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine(1-)  . It is also related to or classified as lysophosphatidylserine 16:0(1-)  .
The molecule CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O is A dipeptide formed from L-valine and L-methionine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CO)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CO)C(O)=O is A dipeptide formed from L-valine and L-serine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide formed from L-valine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC is A phosphatidylcholine 28:0 in which the two acyl substituents at positions 1 and 2 are specified as lauroyl and palmitoyl respectively. It is also related to or classified as phosphatidylcholine 28:0  . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine  . It is also related to or classified as dodecanoate ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC is A phosphatidylcholine 28:0 in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and lauroyl respectively. Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidylcholine 28:0  . It is also related to or classified as dodecanoate ester  .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC is A phosphatidylcholine 34:0 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and palmitoyl respectively. Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 34:0  . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(O)=O is A tripeptide formed from L-valine, L-tyrosine and L-valine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O is A flavanone glycoside that is  eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is eriodictyol . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as neohesperidoside  . It is also related to or classified as trihydroxyflavanone , flavanone glycoside , disaccharide derivative .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A phosphatidylserine 36:4 that is the conjugate base of 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 36:4(1-)  .
The molecule CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-tyrosine and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A phosphatidylserine 34:2 that is the conjugate base of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 34:2(1-)  .
The molecule [Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O [Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O is an anthocyanidin chloride that has peonidin as the cationic component. It has the role of antioxidant . It has the role of metabolite . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as anthocyanidin chloride  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+] CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+] is A 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-stearoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:0  .
The molecule CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 is an organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of B-Raf inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as organofluorine compound  . It is also related to or classified as aminopyrimidine , 1,3-thiazoles .
The molecule [Cl-].COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O [Cl-].COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O is an anthocyanidin chloride that has petunidin as the cationic component. It has the role of metabolite . It is also related to or classified as anthocyanidin chloride  .
The molecule [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)[C@@H](O)[C@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCCC1=N[C@]([H])(CS1)c1nc(cs1)C(=O)NCCCCNC(N)=N [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)[C@@H](O)[C@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCCC1=N[C@]([H])(CS1)c1nc(cs1)C(=O)NCCCCNC(N)=N is A glycopeptide originally isolated from the bacterium Streptomyces verticillus which contains a (4'R)-4',5'-dihydro-2,4'-bi-1,3-thiazole-2',4-diyl moiety with a a 4-guanidylbutylaminocarbonyl group attached to the 4-position of the terminal thiazole ring. Like all phleomycins, phleomycin D1 can form complexes with redox-active metals such as Co, Cu, and Fe. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of bacterial metabolite .  It is also related to or classified as glycopeptide  . It is also related to or classified as chelate-forming peptide , guanidines , bi-1,3-thiazole , disaccharide derivative .
The molecule [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O is A cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is neriifolin .  It is also related to or classified as acetate ester  . It is also related to or classified as cardenolide glycoside , monosaccharide derivative .
The molecule OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl is an dichlorobenzene derivative that is used in the form of its trifenate salt for treatment of chronic obstructive pulmonary disease. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent .  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 phenols  . It is also related to or classified as benzyl alcohols , secondary amino compound .
The molecule CS(O)(=O)=O.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 CS(O)(=O)=O.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 is A methanesulfonate (mesylate) salt prepared from equimolar amounts of dabrafenib and methanesulfonic acid. Used for treatment of metastatic melanoma. It has the role of antineoplastic agent . It has the role of B-Raf inhibitor . It is also related to or classified as methanesulfonate salt .
The molecule OCc1cc(ccc1O)[C@@H](O)C[NH2+]CCCCCCOCCOCc1c(Cl)cccc1Cl OCc1cc(ccc1O)[C@@H](O)C[NH2+]CCCCCCOCCOCc1c(Cl)cccc1Cl is an organic cation that is the conjugate acid of vilanterol, obtained by protonation of the secondary amino group. It is a conjugate acid of vilanterol . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)C(=O)[C@H]1O OC1O[C@H](COP([O-])([O-])=O)[C@@H](O)C(=O)[C@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-dehydro-D-glucose-6-phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule COc1cccc(C=NNc2ccccn2)c1O COc1cccc(C=NNc2ccccn2)c1O is A hydrazone obtained by formal condensation of the carbonyl group of 2-hydroxy-3-methoxybenzaldehyde with 2-hydrazinopyridine. It has the role of chelator . Its functional parent is salicylaldehyde .  It is also related to or classified as phenols  .  It is also related to or classified as hydrazone  . It is also related to or classified as pyridines , aromatic ether .
The molecule [NH3+][C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]2O)[C@@H]1O [NH3+][C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]2O)[C@@H]1O is an organic cation obtained by protonation of the two amino groups of 3,3'-neotrehalosadiamine. It is a conjugate acid of 3,3'-neotrehalosadiamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12 [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12 is an indolyl carbohydrate that is the beta-D-galactoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, beta-galactosidase, which cleaved the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product. It has the role of chromogenic compound .  It is also related to or classified as beta-D-galactoside  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolyl carbohydrate , D-aldohexose derivative .
The molecule CC(=NNC(N)=O)c1cc(CNC(=O)CCl)cs1 CC(=NNC(N)=O)c1cc(CNC(=O)CCl)cs1 is A semicarbazone obtained by formal condensation of the keto group of N-[(5-acetyl-3-thienyl)methyl]-2-chloroacetamide with the hydrazino group of semicarbazide. Its functional parent is chloroacetic acid . Its functional parent is semicarbazide .  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 semicarbazone  . It is also related to or classified as thiophenes , ureas .
The molecule COc1cc2C[C@H]3COC(=O)[C@@H]3Cc3c(OC)c(OC)c(OC)cc3-c2cc1OC COc1cc2C[C@H]3COC(=O)[C@@H]3Cc3c(OC)c(OC)c(OC)cc3-c2cc1OC is Neoisostegane. It is also related to or classified as lactone  . It is also related to or classified as lignan  .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide composed of three deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide  .
The molecule Nc1ccc(Cl)cc1O Nc1ccc(Cl)cc1O is phenol carrying amino and chloro substituents at positions 2 and 5 respectively. It is part of the degradation pathway of 4-chloronitrobenzene, CHEBI:34399. It is also related to or classified as phenols  . It is also related to or classified as primary amino compound , monochlorobenzenes .