anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O.O.O.O.O.O.O.[Co+2].S([O-])([O-])(=O)=O O.O.O.O.O.O.O.[Co+2].S([O-])([O-])(=O)=O is A hydrate that is the heptahydrate form of cobalt(2+) sulfate. It has the role of genotoxin . It has the role of carcinogenic agent . It is also related to or classified as hydrate .
The molecule C([C@H](CS)N)(=O)O.Cl C([C@H](CS)N)(=O)O.Cl is A hydrochloride obtained by combining L-cysteine with one molar equivalent of hydrogen chloride. It has the role of flour treatment agent . It has the role of EC 4.3.1.3 (histidine ammonia-lyase) inhibitor . It has the role of human metabolite . It is also related to or classified as hydrochloride .
The molecule [NH4+].[NH4+].NC(N)=O.[O-]S([O-])(=O)=O [NH4+].[NH4+].NC(N)=O.[O-]S([O-])(=O)=O is A mixture obtained by combining ammonium sulfate and urea. It has the role of fertilizer . It is also related to or classified as mixture .
The molecule O=[Mo](=O)([O-])[O-].[NH4+].[NH4+] O=[Mo](=O)([O-])[O-].[NH4+].[NH4+] is an ammonium salt composed of ammonium and molybdate ions in a 2:1 ratio. It has the role of poison . It is also related to or classified as ammonium salt .
The molecule [O-]C(CC[C@@H](C([O-])=O)N)=O.[Na+].[Na+] [O-]C(CC[C@@H](C([O-])=O)N)=O.[Na+].[Na+] is an organic sodium salt that is the disodium salt of L-glutamic acid. It is also related to or classified as organic sodium salt .
The molecule [Na+].O=C([O-])C(=O)[H] [Na+].O=C([O-])C(=O)[H] is an organic sodium salt that is the monosodium salt of glyoxylic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as organic sodium salt .
The molecule [Na+].[Na+].[O-][As](=O)(O)[O-].O.O.O.O.O.O.O [Na+].[Na+].[O-][As](=O)(O)[O-].O.O.O.O.O.O.O is A hydrate that is the heptahydrate form of disodium hydrogen arsenate. It has the role of poison . It is also related to or classified as hydrate .
The molecule [Na+].[Na+].[O-]C([C@H](CC([O-])=O)O)=O [Na+].[Na+].[O-]C([C@H](CC([O-])=O)O)=O is an organic sodium salt that is the disodium salt of (S)-malic acid. It is also related to or classified as organic sodium salt .
The molecule N1=C(C=CC2=CC=C3C=CC(=NC3=C12)C)C N1=C(C=CC2=CC=C3C=CC(=NC3=C12)C)C is A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. It has the role of copper chelator . It has the role of chelator . It is also related to or classified as phenanthrolines .
The molecule S(=O)(=O)([O-])[O-].O.O.O.O.O.O.[Cu+2] S(=O)(=O)([O-])[O-].O.O.O.O.O.O.[Cu+2] is A hydrate that is the hexahydrate form of copper(2+) sulfate. It is also related to or classified as hydrate , metal sulfate .
The molecule C1CCC(C2=C1[C@]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)C)(C)CCC(C=C)(C)O)(C)C C1CCC(C2=C1[C@]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)C)(C)CCC(C=C)(C)O)(C)C is A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L and Vitex negundo. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as labdane diterpenoid , carbobicyclic compound , olefinic compound .
The molecule [Na+].[Na+].[O-]P(=O)(O)[O-].O.O.O.O.O.O.O.O.O.O.O.O [Na+].[Na+].[O-]P(=O)(O)[O-].O.O.O.O.O.O.O.O.O.O.O.O is A hydrate that is the dodecahydrate form of disodium hydrogenphosphate. It is also related to or classified as hydrate .
The molecule C(/C=C\C([O-])=O)([O-])=O.[Na+].[Na+] C(/C=C\C([O-])=O)([O-])=O.[Na+].[Na+] is an organic sodium salt that is the disodium salt of maleic acid. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as organic sodium salt .
The molecule [Na+].[Na+].[O-][As](=O)(O)[O-] [Na+].[Na+].[O-][As](=O)(O)[O-] is an inorganic sodium salt composed from sodium cations and arsenate dianions in a 2:1 ratio. It has the role of poison . It is also related to or classified as inorganic sodium salt .
The molecule C12=C(C(=C3C(=C1)C=C(C=C3O)O)O)C(C4=C(C2=O)C=C(C=C4O)O)=O C12=C(C(=C3C(=C1)C=C(C=C3O)O)O)C(C4=C(C2=O)C=C(C=C4O)O)=O is A member of the class of tetracenequinones that is tetracene-5,12-dione in which the hydrogens at positions 1, 3, 8, 10, and 11 have been replaced by hydroxy groups. Isolated from Paecilomyces. It has the role of intercalator . It has the role of antineoplastic agent . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of fungal metabolite . It is also related to or classified as tetracenequinones .
The molecule [Na+].[Na+].[O-]P(=O)(O)[O-].O.O [Na+].[Na+].[O-]P(=O)(O)[O-].O.O is A hydrate that is the dihydrate form of disodium hydrogenphosphate. It is also related to or classified as hydrate .
The molecule [Na+].[Na+].[O-]C([C@@H](CC([O-])=O)O)=O [Na+].[Na+].[O-]C([C@@H](CC([O-])=O)O)=O is an organic sodium salt that is the disodium salt of (R)-malic acid. It is also related to or classified as organic sodium salt .
The molecule C(CC1=CC(OC1)=O)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O C(CC1=CC(OC1)=O)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O is A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as butenolide  . It is also related to or classified as labdane diterpenoid , carbobicyclic compound .
The molecule C([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC=1C2=CC=CC=C2NC1)N)=O)=O)(=O)O C([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC=1C2=CC=CC=C2NC1)N)=O)=O)(=O)O is A tripeptide composed of L-tryptophan, L-leucine, and L-leucine joined by peptide linkages. It is also related to or classified as tripeptide  .
The molecule C(CC1=CC(OC1O)=O)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O C(CC1=CC(OC1O)=O)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O is A labdane diterpenoid that is isolated from the fruits of Vitex agnus-castus. It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as lactol  . It is also related to or classified as acetate ester  . It is also related to or classified as butenolide  . It is also related to or classified as labdane diterpenoid , carbobicyclic compound .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O is A nine-membered branched glucosamine oligosaccharide consisting of eight D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O)NC(=O)C)O is A branched amino tetrasaccharide comprised of an alpha-D-mannosyl residue linked (1->6) to the middle mannose of alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc. An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O)NC(=O)C)O is an amino trisaccharide consisting of two D-mannose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked alpha(1->4), at the reducing end. An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .
The molecule C(CC=1C=COC1)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O C(CC=1C=COC1)[C@]2([C@@H](C[C@H]([C@]3(C(CCC[C@@]32C)(C)C)[H])OC(=O)C)C)O is A labdane diterpenoid that is isolated from the fruits of Vitex rotundifolia. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite .  It is also related to or classified as tertiary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as furans , labdane diterpenoid , carbobicyclic compound .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O is A nine-membered branched glucosamine oligosaccharide consisting of eight D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide .
The molecule C(C(CC([O-])=O)OC(=O)C[C@@H](CCCCCCC/C=C\C/C=C\CCCCC)O)[N+](C)(C)C C(C(CC([O-])=O)OC(=O)C[C@@H](CCCCCCC/C=C\C/C=C\CCCCC)O)[N+](C)(C)C is an O-acylcarnitine in which the O-acyl group is specified as (3R,11Z,14Z)-3-hydroxyicosadienoyl. It has the role of mouse metabolite . It is also related to or classified as O-acylcarnitine .
The molecule COc1cc(O[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3OCOc3c2)ccc1O COc1cc(O[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3OCOc3c2)ccc1O is Sesamolinol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)O)NC(=O)C)O is A six-membered branched glucosamine oligosaccharide consisting of five D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide .
The molecule FCOC(C(F)(F)F)C(F)(F)F FCOC(C(F)(F)F)C(F)(F)F is an ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups. It has the role of central nervous system depressant . It has the role of inhalation anaesthetic . It has the role of platelet aggregation inhibitor . Its functional parent is 2-methoxypropane . It is also related to or classified as ether  . It is also related to or classified as organofluorine compound  .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)C)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)C)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration) and 23. It has the role of human metabolite . It has the role of rat metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O is A nine-membered branched glucosamine oligosaccharide consisting of eight D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide .
The molecule COc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O COc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O is A 7-hydroxyflavonol that is  kaempferol substituted by a methoxy group at position 8. It has the role of plant metabolite . Its functional parent is kaempferol . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as 7-hydroxyflavonol  .
The molecule [C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(C[N+](C)(C)C)CC(=O)O.[Cl-] [C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(C[N+](C)(C)C)CC(=O)O.[Cl-] is A quaternary ammonium salt obtained by combining (R)-oleoylcarnitine with one molar equivalent of hydrogen chloride. It has the role of human metabolite . It is also related to or classified as quaternary ammonium salt , organic chloride salt .
The molecule [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O)NC(=O)C)O [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O)NC(=O)C)O is A ten-membered branched glucosamine oligosaccharide consisting of nine D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. It is also related to or classified as glucosamine oligosaccharide .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)(C)O)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)(C)O)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25. It has the role of human metabolite . It has the role of rat metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as tetrol , D3 vitamins .
The molecule CCCCCCCCCCCCOCCOCCOCCOCCOCCO CCCCCCCCCCCCOCCOCCOCCOCCOCCO is A hydroxypolyether that is pentaethylene glycol in which one of the terminal hydrogens is replaced by a dodecyl group. It has the role of nonionic surfactant . It is also related to or classified as primary alcohol  . It is also related to or classified as pentaethylene glycol  . It is also related to or classified as hydroxypolyether  .
The molecule COC1=CC2=NC=CC(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=C2C=C1OC COC1=CC2=NC=CC(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=C2C=C1OC is A member of the class of quinolines that is 6,7-dimethoxyquinoline substituted by a 3-chloro-4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}phenoxy group at position 4. It is a potent and selective inhibitor of VEGF receptor tyrosine kinases and was previously in clinical development for the treatment of metastatic renal cell carcinoma. It has the role of antineoplastic agent . It has the role of vascular endothelial growth factor receptor antagonist . It has the role of apoptosis inducer .    It is also related to or classified as isoxazoles  . It is also related to or classified as phenylureas , quinolines , aromatic ether , monochlorobenzenes .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(C(C(C)C)O)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(C(C(C)C)O)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration), 23 and 24. It has the role of human metabolite . It has the role of rat metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as tetrol , D3 vitamins .
The molecule C[C@@H](OC1=C(SC(=C1)N1C=NC2=C1C=C(CN1CCN(C)CC1)C=C2)C(N)=O)C1=CC=CC=C1C(F)(F)F C[C@@H](OC1=C(SC(=C1)N1C=NC2=C1C=C(CN1CCN(C)CC1)C=C2)C(N)=O)C1=CC=CC=C1C(F)(F)F is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by 5-carbamoyl-4-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophen-2-yl and (4-methylpiperazin-1-yl)methyl groups at positions 1 and 6, respectively. It is an ATP-competitive polo-like kinase 1 (PLK1) inhibitor (Ki = 2.2 nM). It has the role of EC 2.7.11.21 (polo kinase) inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as primary carboxamide  .  It is also related to or classified as ether  . It is also related to or classified as benzimidazoles , thiophenes , N-methylpiperazine , (trifluoromethyl)benzenes .
The molecule CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC is LSM-1052. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CCN1CCN(CC1)CC2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)C(F)(F)F CCN1CCN(CC1)CC2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)C(F)(F)F is 2-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1 CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1 is sibutramine. It has the role of serotonin uptake inhibitor . It has the role of anti-obesity agent . It is also related to or classified as organochlorine compound  . It is also related to or classified as tertiary amino compound .
The molecule C1=C(C(=NN1)C(NC2CCNCC2)=O)NC(C=3C(=CC=CC3Cl)Cl)=O C1=C(C(=NN1)C(NC2CCNCC2)=O)NC(C=3C(=CC=CC3Cl)Cl)=O is A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. 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 secondary carboxamide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as piperidines , pyrazoles .
The molecule COC1=C(OC)C=C2N(C=NC2=C1)C1=CC(OCC2=CC=CC=C2C(F)(F)F)=C(S1)C(N)=O COC1=C(OC)C=C2N(C=NC2=C1)C1=CC(OCC2=CC=CC=C2C(F)(F)F)=C(S1)C(N)=O is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by 5-carbamoyl-4-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl, methoxy, and methoxy groups at positions 1, 5, and 6, respectively. It is a potent inhibitor of PLK1 and PLK3 (IC50 = 2.2 and 9.1 nM respectively). It has the role of EC 2.7.11.21 (polo kinase) inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as primary carboxamide  . It is also related to or classified as benzimidazoles , thiophenes , aromatic ether , (trifluoromethyl)benzenes .
The molecule O=C(C1CCNCC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 O=C(C1CCNCC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 is A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of apoptosis inducer . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as organic sulfide  . It is also related to or classified as 1,3-thiazoles , 1,3-oxazoles , piperidinecarboxamide .
The molecule [H][C@]1(CC(=O)c2c(O)cc(O)cc2O1)c1ccc2O[C@@]([H])([C@@H](CO)Oc2c1)c1ccc(O)c(OC)c1 [H][C@]1(CC(=O)c2c(O)cc(O)cc2O1)c1ccc2O[C@@]([H])([C@@H](CO)Oc2c1)c1ccc(O)c(OC)c1 is A flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity. It has the role of metabolite . It has the role of hepatoprotective agent . It is also related to or classified as polyphenol , aromatic ether , benzodioxine , flavonolignan .
The molecule C(C=1C=CC=CC1)(=O)NC=2C=CC(=CC2)NC=3N=CN=C4C=C(C(=CC34)OC)OCCCN5CCOCC5 C(C=1C=CC=CC1)(=O)NC=2C=CC(=CC2)NC=3N=CN=C4C=C(C(=CC34)OC)OCCCN5CCOCC5 is A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of Aurora kinase inhibitor .     It is also related to or classified as polyether  . It is also related to or classified as benzamides , aromatic ether , quinazolines , morpholines , secondary amino compound , tertiary amino compound .