anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S(O)(=O)=O C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S(O)(=O)=O is an aminobenzenesulfonic acid that is 2-aminobenzenesulfonic acid in which one of the amino hydrogens is replaced by a 4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl} group. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate . It is also related to or classified as imine  . It is also related to or classified as aminobenzenesulfonic acid , substituted aniline , olefinic compound .
The molecule NC1=NC=CN2C1=C(N=C2[C@@]3(C[C@@](C3)(N4CCN(CC4)C)[H])[H])C5=CC6=NC(C7=CC=CC=C7)=CC=C6C=C5 NC1=NC=CN2C1=C(N=C2[C@@]3(C[C@@](C3)(N4CCN(CC4)C)[H])[H])C5=CC6=NC(C7=CC=CC=C7)=CC=C6C=C5 is A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazin-8-amine carrying additional 2-phenylquinolin-7-yl and 3-(4-methylpiperazin-1-yl)cyclobutyl groups at positions 1 and 3 respectively. It is an inhibitor of insulin growth factor 1 receptor (IGF-1 receptor, IGFR1R) tyrosine kinase. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of insulin-like growth factor receptor 1 antagonist .   It is also related to or classified as imidazopyrazine  . It is also related to or classified as quinolines , aromatic amine , N-alkylpiperazine , primary amino compound .
The molecule C=1(C=CSC1C(OC)=O)NC(CC2=CC=CS2)=O C=1(C=CSC1C(OC)=O)NC(CC2=CC=CS2)=O is A carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs). It has the role of c-Jun N-terminal kinase inhibitor . Its functional parent is 2-thienylacetic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as methyl ester  . It is also related to or classified as thiophenes .
The molecule CC=1C=CC(=CC1)N2N=C(C=C2NC(=O)NC3=NC(=CS3)CCOCC=4C=CC=CC4)C(C)(C)C CC=1C=CC(=CC1)N2N=C(C=C2NC(=O)NC3=NC(=CS3)CCOCC=4C=CC=CC4)C(C)(C)C is A member of the class of ureas obtained by formal condensation of the carboxy group of [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-amine. It is also related to or classified as 1,3-thiazoles , N-arylimidazole , ureas , benzyl ether .
The molecule CC=1OC(=NN1)C2=CC(=C(C=C2)C3=CC(C(=O)NC4CC4)=CC=C3C)C CC=1OC(=NN1)C2=CC(=C(C=C2)C3=CC(C(=O)NC4CC4)=CC=C3C)C is A member of the class of biphenyls that is biphenyl in which one of the phenyl groups is substituted at positions 2and 4 by a methyl and a 5-methyl-1,3,4-oxadiazol-2-yl groups, respectively, while the other phenyl group is substituted at positions 2 and 5 by a methyl and an N-(cyclopropyl)aminocarbohyl group, respectively. An inhibitor of p38-alpha MAP kinase. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as biphenyls , 1,3,4-oxadiazoles , cyclopropanes , ring assembly .
The molecule O=C(NC1=CC(=CC=C1)N2CCOCC2)C3=CC=C(C)C(=C3)C4=CC=C5C(ON=C5C6CCNCC6)=C4 O=C(NC1=CC(=CC=C1)N2CCOCC2)C3=CC=C(C)C(=C3)C4=CC=C5C(ON=C5C6CCNCC6)=C4 is A biaryl resulting from the formal oxidative coupling of the 6 position of 3-(piperidin-4-yl)-1,2-benzoxazole with the 3 position of p-toluic acid and subsequent condensation of the carboxy group with the primary amino group of 3-(morpholin-4-yl)aniline to give the corresponding carboxamide. An inhibitor of p38-alpha MAP kinase. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as benzamides , piperidines , morpholines , secondary amino compound , 1,2-benzoxazoles , biaryl .
The molecule C1COCCN1C=2N=C(N=C(N2)N3CCOCC3)N4C=5C=CC=CC5N=C4C(F)F C1COCCN1C=2N=C(N=C(N2)N3CCOCC3)N4C=5C=CC=CC5N=C4C(F)F is A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as benzimidazoles , triamino-1,3,5-triazine , morpholines .
The molecule C=1(C(=CC(C2=C(C3=CC=C(C=C3)OC)SN=N2)=C(C1)O)Cl)O C=1(C(=CC(C2=C(C3=CC=C(C=C3)OC)SN=N2)=C(C1)O)Cl)O is A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. It has the role of Hsp90 inhibitor . It is also related to or classified as monomethoxybenzene , resorcinols , thiadiazoles , monochlorobenzenes .
The molecule [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O is A 1,2-diacyl-3-(beta-D-galactosyl)-sn-glycerol in which the 1- and 2- acyl groups are specified as (9Z,12Z,15Z)-octadecatrienoyl and (7Z,10Z,13Z)-hexadecatrienoyl respectively. It has the role of plant metabolite . Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . Its functional parent is alpha-linolenic acid . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .
The molecule C1=CN=C(N=C1NC=2C=C3C=CC=CC3=NC2)NC4=CC=C(N5CCOCC5)C(=C4)OC C1=CN=C(N=C1NC=2C=C3C=CC=CC3=NC2)NC4=CC=C(N5CCOCC5)C(=C4)OC is A member of the class of aminopyrimidines that is pyrimidine-2,4-diamine substituted at positions N-2 and N-4 by 3-methoxy-4-(morpholin-4-yl)phenyl and quinolin-3-yl groups respectively. It has the role of insulin-like growth factor receptor 1 antagonist .  It is also related to or classified as aminoquinoline  . It is also related to or classified as monomethoxybenzene , aminopyrimidine , morpholines , secondary amino compound , tertiary amino compound .
The molecule COC1=C(OC)C=C2C=CC(=O)OC2=C1 COC1=C(OC)C=C2C=CC(=O)OC2=C1 is A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has the role of antihypertensive agent . It has the role of antilipemic drug . It has the role of immunosuppressive agent . It has the role of anti-allergic agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is esculetin . It is also related to or classified as coumarins , aromatic ether .
The molecule [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(=O)CCCCCCC[C@@H]2[C@@H](C(C=C2)=O)C/C=C\CC)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(=O)CCCCCCC[C@@H]2[C@@H](C(C=C2)=O)C/C=C\CC)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O is A 1,2-diacyl-3-(beta-D-galactosyl)-sn-glycerol in which the 1- and 2- acyl groups are specified as (9S,13S-12-oxophytodienoyl) and (7Z,10Z,13Z)-hexadecatrienoyl respectively. It has the role of plant metabolite . Its functional parent is (15Z)-12-oxophyto-10,15-dienoic acid . Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .
The molecule C([C@H](CC1=CC=C(C=C1)C=2C(N(C(=CC2C(F)(F)F)C)C)=O)NC(=O)C=3C(=CC=CC3Cl)Cl)(O)=O C([C@H](CC1=CC=C(C=C1)C=2C(N(C(=CC2C(F)(F)F)C)C)=O)NC(=O)C=3C(=CC=CC3Cl)Cl)(O)=O is an L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phenyl ring.  It is also related to or classified as organofluorine compound  . It is also related to or classified as N-acyl-L-amino acid , pyridone , L-phenylalanine derivative .
The molecule [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](CO)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O [C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](CO)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O is A 2-acyl-3-(beta-D-galactosyl)-sn-glycerol in which the acyl group at the 2 position is specified as (7Z,10Z,13Z)-hexadecatrienoyl. Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . It is also related to or classified as 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol  .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)CO [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)CO is an amino disaccharide consisting of N-acetyl-D-glucosamine attached to D-ribitol via a beta-(1->4)-linkage; epitope of Staphylococcus aureus. It has the role of epitope . It is also related to or classified as amino disaccharide .
The molecule C([C@@H](CO)OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)OP(=O)(OCCN)O C([C@@H](CO)OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)OP(=O)(OCCN)O is A lysophosphatidylethanolamine 20:3 in which the acyl group is specified as (5Z,8Z,11Z)-icosatrienoyl and is located at position 2. It has the role of mouse metabolite . Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 20:3  .
The molecule [C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3 [C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3 is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-proline derivative .
The molecule N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2 N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2 is an L-ornithine derivative that is the amide obtained by formal condensation of the carboxy group of L-ornithine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as L-ornithine derivative , amino acid amide .
The molecule N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2 N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2 is an L-serine derivative that is the amide obtained by formal condensation of the carboxy group of L-serine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-serine derivative .
The molecule N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3 N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3 is an L-phenylalanine derivative that is the amide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-phenylalanine derivative .
The molecule C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N is an L-tryptophan derivative that is the amide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-tryptophan derivative .
The molecule [C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3 [C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3 is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of 5-oxo-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-proline derivative .
The molecule COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 is A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively. It has the role of anti-asthmatic drug . It has the role of EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as dihydroxyflavone , tetramethoxyflavone .
The molecule N(C([C@H](CC(C)C)N)=O)C=1C=C(C2=C(C1)C=CC=C2)OC N(C([C@H](CC(C)C)N)=O)C=1C=C(C2=C(C1)C=CC=C2)OC is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 4-methoxy-2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as amino acid amide , L-leucine derivative , naphthalenes , aromatic ether , aromatic amide .
The molecule O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C is an L-threonine derivative that is the amide obtained by formal condensation of the carboxy group of L-threonine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-threonine derivative .
The molecule O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C is an L-valine derivative that is the amide obtained by formal condensation of the carboxy group of L-valine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-valine derivative .
The molecule C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4 C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4 is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-phenylalanyl-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as tripeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .
The molecule N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2 N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2 is A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , beta-alanine derivative .
The molecule C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-alanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .
The molecule C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3 C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3 is A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.  It is also related to or classified as isoxazoles  . It is also related to or classified as aminopyrimidine .
The molecule N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl is A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as pyridines , phthalazines , secondary amino compound , monochlorobenzenes .
The molecule O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O is an L-tyrosine derivative that is the amide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-tyrosine derivative .
The molecule C(CC(O)=O)C(O)=O.N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl C(CC(O)=O)C(O)=O.N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl is A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as succinate salt .
The molecule C1=NC=CC(=N1)C2=CC=CC=C2 C1=NC=CC(=N1)C2=CC=CC=C2 is A biaryl that is pyrimidine substituted at position 4 by a phenyl group. It is also related to or classified as pyrimidines , biaryl .
The molecule C1=C(C(=CC=N1)N2CCNCC2)NC(C3=CSC(=N3)N4C(C5=C(C4)C=CC(=C5)OC)=O)=O C1=C(C(=CC=N1)N2CCNCC2)NC(C3=CSC(=N3)N4C(C5=C(C4)C=CC(=C5)OC)=O)=O is an aromatic amide obtained by formal condensation of the amino group of 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-thiazole-4-carboxylic acid with the primary amino group of 4-(piperazin-1-yl)pyridin-3-amine. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as isoindoles , aromatic ether , aminopyridine , 1,3-thiazoles , N-arylpiperazine , aromatic amide , gamma-lactam .
The molecule C=1C=2N(N=C(C1)C=3C=NN(C)C3)C(SC4=CC=C5C(=C4)C=CC=N5)=NN2 C=1C=2N(N=C(C1)C=3C=NN(C)C3)C(SC4=CC=C5C(=C4)C=CC=N5)=NN2 is A member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group. It has the role of nephrotoxic agent . It has the role of c-Met tyrosine kinase inhibitor . It is also related to or classified as pyrazoles , quinolines , aryl sulfide , triazolopyridazine , biaryl .
The molecule C=1(C(N)=NON1)C2=NC3=C(C#CC(O)(C)C)N=CC(=C3N2CC)OC[C@@H]4CNCCC4 C=1(C(N)=NON1)C2=NC3=C(C#CC(O)(C)C)N=CC(=C3N2CC)OC[C@@H]4CNCCC4 is A member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as tertiary alcohol  .      It is also related to or classified as acetylenic compound  . It is also related to or classified as piperidines , aromatic amine , aromatic ether , 1,2,5-oxadiazole , imidazopyridine , primary amino compound .
The molecule N1=CN=C2N(N=C(C=3NC4=C(C3)C=C(C=C4)O)C2=C1N)C(C)C N1=CN=C2N(N=C(C=3NC4=C(C3)C=C(C=C4)O)C2=C1N)C(C)C is A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor . It is also related to or classified as phenols  . It is also related to or classified as aromatic amine , pyrazolopyrimidine , primary amino compound , biaryl , hydroxyindoles .
The molecule N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=CC(=CC2)O)C(=O)N)=O)CSSC[C@H]3C(N[C@@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C1=O)=O)CC(N)=O)=O)CSSC[C@@H](C(N[C@H](C(N6[C@@H](C[C@@H](O)C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3)=O)CC(=O)N)=O)CC7=CC=C(C=C7)O)=O)CO)=O)[C@H](O)C)=O)=O)CO)=O)NC([C@@H](NC([C@@H](NC(CNC([C@@H]8C[C@@H](O)CN8C([C@@H](NC([C@@H](NC([C@H](CSSC4)N)=O)CCCCN)=O)CO)=O)=O)=O)CO)=O)CO)=O)=O)CO)=O)CCCNC(N)=N)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@H](O)C)=O)CC9=CC=C(C=C9)O N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=CC(=CC2)O)C(=O)N)=O)CSSC[C@H]3C(N[C@@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C1=O)=O)CC(N)=O)=O)CSSC[C@@H](C(N[C@H](C(N6[C@@H](C[C@@H](O)C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3)=O)CC(=O)N)=O)CC7=CC=C(C=C7)O)=O)CO)=O)[C@H](O)C)=O)=O)CO)=O)NC([C@@H](NC([C@@H](NC(CNC([C@@H]8C[C@@H](O)CN8C([C@@H](NC([C@@H](NC([C@H](CSSC4)N)=O)CCCCN)=O)CO)=O)=O)=O)CO)=O)CO)=O)=O)CO)=O)CCCNC(N)=N)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@H](O)C)=O)CC9=CC=C(C=C9)O is A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Ser-Hyp-Gly-Ser-Ser-Cys-Ser-Hyp-Thr-Ser-Tyr-Asn-Cys-Cys-Arg-Ser-Cys-Asn-Hyp-Tyr-Thr-Lys-Arg-Cys-Tyr-NH2 with three disulfide bridges between cysteine residues 1-16, 8-19 and 15-26. Isolated from the venom of the fish-hunting snail Conus geographus. It has the role of calcium channel blocker . It has the role of neurotoxin . It has the role of marine metabolite . It has the role of venom .  It is also related to or classified as polypeptide  .  It is also related to or classified as organic disulfide  . It is also related to or classified as peptidyl amide , heterodetic cyclic peptide .
The molecule C1=C(C2=CC=C3C(=C2)C4=C(C=CC(N4C5=CC(=CC=C5)C(F)(F)F)=O)C=N3)C=NC(=C1)N C1=C(C2=CC=C3C(=C2)C4=C(C=CC(N4C5=CC(=CC=C5)C(F)(F)F)=O)C=N3)C=NC(=C1)N is A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor . It is also related to or classified as organofluorine compound  . It is also related to or classified as aminopyridine , pyridoquinoline , primary amino compound .
The molecule C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].OS(O)(=O)=O C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].OS(O)(=O)=O is A peptide sulfate salt obtained by combining leupeptin with 0.5 molar equivalents of sulfuric acid. It has the role of serine protease inhibitor . It has the role of cathepsin B inhibitor . It has the role of EC 3.4.21.4 (trypsin) inhibitor . It has the role of calpain inhibitor . It is also related to or classified as peptide sulfate salt .