mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>[C@@H]1([C@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=C(C=CC3C2)Br</smiles> is A beta-D-mannoside having a 6-bromo-2-naphthyl substituent at the anomeric position. It has the role of chromogenic compound. Its functional parent is 6-bromo-2-naphthol.  It is also related to or classified as beta-D-mannoside . It is also related to or classified as organobromine compound . It is also related to or classified as naphthalenes.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising an alpha-N-glycoloylneuraminyl residue, an alpha-N-acetylneuraminyl residue, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCC)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexanoic acid. It is a conjugate acid of 2-methylhexanoyl-CoA(4-). It is also related to or classified as methyl-branched fatty acyl-CoA, medium-chain fatty acyl-CoA.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(=CCCC)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A 2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexenoic acid. It has the role of human metabolite. It is a conjugate acid of 2-methylhexenoyl-CoA(4-). It is also related to or classified as monounsaturated fatty acyl-CoA, 2-enoyl-CoA, methyl-branched fatty acyl-CoA, medium-chain fatty acyl-CoA.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(CO)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising two alpha-N-glycoloylneuraminyl residues, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>[C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> is A beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position. It has the role of chromogenic compound. Its functional parent is 4-nitrophenol. It is also related to or classified as beta-D-glucosiduronic acid, C-nitro compound.
The molecule <smiles>[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[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]%11[C@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a heptadecasaccharide derivative comprising a linear trisaccharide of alpha-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl branched nonasaccharide unit [linked (1->6)], and a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear pentasaccharide unit [linked (1->3)]. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3.[Cl-].[Cl-]</smiles> is an iminium salt composed of (4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium and chloride ions in a 1:2 ratio. A histological dye used for staining chromatin and amyloid. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as quaternary ammonium salt, iminium salt, organic chloride salt.
The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCNC(=O)C)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with laccaic acids B, C and D. It has the role of dye. It has the role of animal metabolite. It has the role of EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor.  It is also related to or classified as acetamide . It is also related to or classified as polyphenol, oxo dicarboxylic acid, tetrahydroxyanthraquinone.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising two N-acetyl-alpha-neuraminyl residues, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H]([C@@H](O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a heptadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked (1->3) and (1->6) two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear heptasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C12=CC=CC=C2C=CC(=C1)OC(=O)CCC</smiles> is A butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol. It has the role of chromogenic compound. Its functional parent is 2-naphthol.  It is also related to or classified as butyrate ester . It is also related to or classified as naphthalenes, aromatic ester.
The molecule <smiles>BrC=1C=C(NC2=NC=NC3=C2C=C(NC(=O)C#CC)C=C3)C=CC1</smiles> is A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group. It has the role of antineoplastic agent. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It has the role of epidermal growth factor receptor antagonist. It is also related to or classified as secondary carboxamide .   It is also related to or classified as ynamide . It is also related to or classified as bromobenzenes, quinazolines.
The molecule <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3</smiles> is an iminium ion that forms the cationic portion of the histological dye 'iodine green'. It is also related to or classified as quaternary ammonium ion . It is also related to or classified as iminium ion.
The molecule <smiles>N1C2=C(C3=C1[C@@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has R configuration. It is the inactive enantiomer. It is also related to or classified as 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide .
The molecule <smiles>C1=C(C=CC(=C1)C(NC2=C(C=CC=C2)N)=O)NC(C)=O</smiles> is A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. It has the role of antineoplastic agent. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor. Its functional parent is 1,2-phenylenediamine. It is also related to or classified as acetamides, benzamides, substituted aniline.
The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CC(N)C(=O)O)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, B and D. It has the role of dye. It has the role of animal metabolite.   It is also related to or classified as alpha-amino acid . It is also related to or classified as polyphenol, tricarboxylic acid, tetrahydroxyanthraquinone.
The molecule <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NC(=O)OCC)=O)N3CC3)NC(=O)OCC</smiles> is A 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups. It has the role of alkylating agent. It has the role of antineoplastic agent. It is also related to or classified as 1,4-benzoquinones .   It is also related to or classified as enamine . It is also related to or classified as aziridines, carbamate ester.
The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCO)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, C and D. It has the role of dye. It has the role of animal metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as polyphenol, oxo dicarboxylic acid, tetrahydroxyanthraquinone.
The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S(O)(=O)=O)NC(=O)C)O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is 6-aminonaphthalene-2-sulfonic acid carrying additional hydroxy and (4-acetamido-2-sulfophenyl)diazenyl substituents at positions 4 and 5 respectively. The disodium salt is the biological stain 'lissamine fast red'. It has the role of fluorochrome. It has the role of histological dye. It is a conjugate acid of lissamine fast red(2-).  It is also related to or classified as azobenzenes . It is also related to or classified as acetamides, naphthols, aminonaphthalenesulfonic acid.
The molecule <smiles>N1C2=C(C3=C1[C@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has S configuration It is the active enantiomer. It has the role of Sir1 inhibitor. It is also related to or classified as 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide .
The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O.[Na+].[Na+]</smiles> is an organic sodium salt that is the disodium salt of 5-[(4-acetamido-2-sulfophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid. Used along with acid fuchsin as a constituent of the plasma staining solution in Lendrum's Picro-Mallory for fibrin. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCC4)C=C3)C5=CC=C(O)C=C5</smiles> is A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group. It has the role of bone density conservation agent. It has the role of estrogen receptor modulator. It has the role of estrogen receptor antagonist. It is also related to or classified as phenols . It is also related to or classified as 1-benzothiophenes, N-alkylpyrrolidine, aromatic ketone.
The molecule <smiles>N1(C(=O)[C@]2(N(C([C@](NC([C@H](C([C@@](OC(C[C@@H]([C@H](NC([C@H]([C@H](OC([C@@]1(CC=3C=CC(=CC3)OC)[H])=O)C)NC([C@](N(C)C(=O)[C@]4(N(CCC4)C(=O)C(C)=O)[H])(CC(C)C)[H])=O)=O)[C@](CC)(C)[H])O)=O)(C(C)C)[H])=O)C)=O)([H])CC(C)C)=O)CCC2)[H])C</smiles> is A didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-L-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated from the Mediterranean tunicate Aplidium albicans. It has the role of anticoronaviral agent. It has the role of antineoplastic agent. It has the role of marine metabolite. It is also related to or classified as didemnin.
The molecule <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S(O)(=O)=O)C)Cl)S(O)(=O)=O)Cl</smiles> is an arenesulfonic acid that is 2,5-dichloro-4-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, (4-sulfophenyl)diazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The disodium salt is the biological stain 'lissamine fast yellow'. It has the role of allergen. It has the role of histological dye. It has the role of food colouring. It is a conjugate acid of lissamine fast yellow(2-). It is also related to or classified as azobenzenes . It is also related to or classified as dichlorobenzene . It is also related to or classified as pyrazoles, arenesulfonic acid, heteroaryl hydroxy compound.
The molecule <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 5-[(4-acetamido-2-sulfophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C</smiles> is A guanidinium salt that is the bis[1,3-di(2-tolyl)guanidinium] salt of a copper phthalocyanine-disulfonic acid. A dye that is soluble in alcohols and phospholipids and is used to demonstrate myelin. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organosulfonate salt, guanidinium salt.
The molecule <smiles>C(=O)(C1=C(C=CC=C1CCCCCCCCCCCCCCC)OCC)NC2=CC=C(C(=C2)C(F)(F)F)Cl</smiles> is A benzamide obtained by formal condensation of the carboxy group of 2-ethoxy-6-pentadecylbenzoic acid with one of the amino groups of 4-chloro-3-(trifluoromethyl)aniline. It has the role of histone acetyltransferase activator.   It is also related to or classified as organofluorine compound . It is also related to or classified as benzamides, aromatic ether, monochlorobenzenes.
The molecule <smiles>[Na+].[Na+].C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> is an organic sodium salt that is the disodium salt of 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid. It is used as the erythrocyte stain in Garvey's method for elastic, fibrin and collagen as well as a substitute for martius yellow in Lendrum's MSB. It has the role of allergen. 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 <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NCCO)=O)N3CC3)NCCO</smiles> is A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2 and 5 have been replaced by aziridin-1-yl groups while the hydrogens at positions 3 and 6 have been replaced by (2-hydroxyethyl)amino groups. It has the role of alkylating agent. It has the role of antineoplastic agent. It is also related to or classified as 1,4-benzoquinones . It is also related to or classified as primary alcohol .  It is also related to or classified as enamine . It is also related to or classified as aziridines, secondary amino compound.
The molecule <smiles>ClC1=C(CS(C2=CC=3\C(=C\C=4NC(=C(C(=O)N5[C@@](CN6CCCC6)(CCC5)[H])C4C)C)\C(=O)NC3C=C2)(=O)=O)C(Cl)=CC=C1</smiles> is A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). It has the role of antineoplastic agent. It has the role of c-Met tyrosine kinase inhibitor. It is also related to or classified as secondary carboxamide . It is also related to or classified as tertiary carboxamide . It is also related to or classified as dichlorobenzene .  It is also related to or classified as sulfone .   It is also related to or classified as enamide . It is also related to or classified as indolones, N-acylpyrrolidine, pyrrolecarboxamide.
The molecule <smiles>C1=C(C(C=C2C1=C(C3=C(O2)C(=C(C(=C3)Br)O)[Hg]O)C4=CC=CC=C4C(O)=O)=O)Br</smiles> is A xanthene dye that is fluorescein bearing bromine substituents at positions 2 and 7 as well as a hydroxymercurio substituent at position 4. It has the role of antiseptic drug. It has the role of fluorochrome. It has the role of histological dye. Its functional parent is fluorescein (lactone form). It is a conjugate acid of 2,7-dibromo-4-hydroxymercurifluorescein(2-).   It is also related to or classified as organobromine compound . It is also related to or classified as arylmercury compound, benzoic acids, xanthene dye.
The molecule <smiles>[C@]12(CCC3=C([C@]1([C@H](C[C@@]4(C)[C@@]2([H])CC[C@@H]4O)C5=CC=C(C=C5)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)[H])C=CC(=C3)O)[H]</smiles> is A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). It has the role of antineoplastic agent. It has the role of anti-estrogen. It has the role of estrogen receptor antagonist. It is also related to or classified as 17beta-hydroxy steroid .  It is also related to or classified as sulfone .  It is also related to or classified as organofluorine compound . It is also related to or classified as aromatic ether, 3-hydroxy steroid.
The molecule <smiles>S1C2=C(N3C1=NC(=C3)C4=CC=C(NC(=O)NC5=NOC(C(C)(C)C)=C5)C=C4)C=CC(OCCN6CCOCC6)=C2</smiles> is A member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group while the other has been substituted by a phenyl group substituted at the para- position by an imidazo[2,1-b][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group. It has the role of necroptosis inhibitor. It has the role of antineoplastic agent. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor.    It is also related to or classified as isoxazoles . It is also related to or classified as phenylureas, morpholines, benzoimidazothiazole.
The molecule <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of a copper phthalocyanine-disulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C(\[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(=O)OCC(CO)O)=O)O)=C/[C@H](CCCCC)O</smiles> is A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin E2 with the 1-hydroxy group of glycerol. It has the role of human metabolite. Its functional parent is prostaglandin E2. It is also related to or classified as secondary allylic alcohol . It is also related to or classified as prostaglandins E .  It is also related to or classified as 1-monoglyceride . It is also related to or classified as tetrol, alicyclic ketone.
The molecule <smiles>C12=C(N=CN1C3OCCC3)C(=NC=N2)N</smiles> is A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor. It has the role of EC 4.6.1.1 (adenylate cyclase) inhibitor. Its functional parent is adenine. It is also related to or classified as oxolanes, nucleoside analogue.
The molecule <smiles>C1SSCCC=C[C@@H]2CC(N[C@@](C(N[C@H]1C(N[C@@]([C@H](CC(O2)=O)O)([C@H](CC)C)[H])=O)=O)(C)[H])=O</smiles> is A spiruchostatin with molecular formula C21H33N3O6S2 originally isolated from a Pseudomonas culture broth. It has the role of antineoplastic agent. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor. It has the role of bacterial metabolite. It is also related to or classified as organic disulfide . It is also related to or classified as macrocyclic lactone, spiruchostatin, organic heterobicyclic compound.
The molecule <smiles>O(CCCN1CCCCC1)C=2C=C3N=CN=C(N4CCN(CC4)C(=O)NC5=CC=C(OC(C)C)C=C5)C3=CC2OC</smiles> is an N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. It has the role of antineoplastic agent. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is also related to or classified as phenylureas, piperidines, aromatic ether, quinazolines, N-arylpiperazine, N-carbamoylpiperazine, tertiary amino compound.