 | | YWX | | Name: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one | | Formula: | C19 H13 F3 N6 O | | SMILES: | O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6- | | Synonyms: | inhibitor CT1, bound form | | Definition date: | 2023-03-02 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one |
|
 | | YX2 | | Name: | 3-propanamido-1-benzofuran-2-carboxamide | | Formula: | C12 H12 N2 O3 | | SMILES: | CCC(=O)Nc1c2ccccc2oc1C(N)=O | | InChi: | InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 3-propanamido-1-benzofuran-2-carboxamide |
|
 | | YX6 | | Name: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide | | Formula: | C9 H11 N3 O2 S | | SMILES: | O=C(NC1CCC(=O)NC1)c1cscn1 | | InChi: | InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide |
|
 | | YXB | | Name: | N-[(1H-indol-4-yl)methyl]ethanamine | | Formula: | C11 H14 N2 | | SMILES: | CCNCc1cccc2[NH]ccc12 | | InChi: | InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(1H-indol-4-yl)methyl]ethanamine |
|
 | | YXH | | Name: | 1-(1H-benzimidazol-2-yl)methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1nc2ccccc2[NH]1 | | InChi: | InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-(1H-benzimidazol-2-yl)methanamine |
|
 | | YXK | | Name: | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile | | Formula: | C7 H6 F3 N3 | | SMILES: | FC(F)(F)Cn1ccnc1CC#N | | InChi: | InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile |
|
 | | YXO | | Name: | 1-(difluoromethyl)-1H-indol-5-amine | | Formula: | C9 H8 F2 N2 | | SMILES: | FC(F)n1ccc2cc(N)ccc21 | | InChi: | InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-(difluoromethyl)-1H-indol-5-amine |
|
 | | YXU | | Name: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine | | Formula: | C8 H8 N2 O | | SMILES: | COc1ccc2[NH]ccc2n1 | | InChi: | InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
|
 | | YXY | | Name: | 4,4-difluorocyclohexane-1-carboxamide | | Formula: | C7 H11 F2 N O | | SMILES: | FC1(F)CCC(CC1)C(N)=O | | InChi: | InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 4,4-difluorocyclohexane-1-carboxamide |
|
 | | YYI | | Name: | 5-(difluoromethoxy)pyridin-2(3H)-one | | Formula: | C6 H5 F2 N O2 | | SMILES: | O=C1CC=C(OC(F)F)C=N1 | | InChi: | InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1,3,6H,2H2 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-(difluoromethoxy)pyridin-2(3H)-one |
|
 | | YZK | | Name: | (3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine | | Formula: | C9 H9 N3 | | SMILES: | Cc1nccn1c1cnccc1 | | InChi: | InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine |
|
 | | Z0I | | Name: | N-(1H-indol-7-yl)acetamide | | Formula: | C10 H10 N2 O | | SMILES: | CC(=O)Nc1cccc2cc[NH]c12 | | InChi: | InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-(1H-indol-7-yl)acetamide |
|
 | | Z1L | | Name: | 1-anilinocyclopropane-1-carboxylic acid | | Formula: | C10 H11 N O2 | | SMILES: | O=C(O)C1(Nc2ccccc2)CC1 | | InChi: | InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-anilinocyclopropane-1-carboxylic acid |
|
 | | Z2F | | Name: | 1,3-benzothiazole-6-sulfonamide | | Formula: | C7 H6 N2 O2 S2 | | SMILES: | NS(=O)(=O)c1ccc2ncsc2c1 | | InChi: | InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1,3-benzothiazole-6-sulfonamide |
|
 | | Z2Z | | Name: | 8-(methanesulfonyl)quinoline | | Formula: | C10 H9 N O2 S | | SMILES: | CS(=O)(=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 8-(methanesulfonyl)quinoline |
|
 | | Z3H | | Name: | N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide | | Formula: | C10 H13 N O3 S | | SMILES: | CS(=O)(=O)NC1CCOc2ccccc21 | | InChi: | InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide |
|
 | | Z3O | | Name: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole | | Formula: | C15 H18 N2 | | SMILES: | CC1C=CN(CC2C=Nc3ccccc23)CC1 | | InChi: | InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole |
|
 | | Z4X | | Name: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide | | Formula: | C11 H14 F N O2 | | SMILES: | CCOc1c(cccc1F)C(=O)N(C)C | | InChi: | InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide |
|
 | | Z5C | | Name: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide | | Formula: | C6 H8 N2 O3 | | SMILES: | O=C(N)c1cc(COC)on1 | | InChi: | InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9) | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide |
|
 | | Z5Z | | Name: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CC(C)OC(C)C1 | | InChi: | InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+ | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
|
 | | Z6I | | Name: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine | | Formula: | C9 H15 N3 | | SMILES: | Cc1[NH]ncc1C1CCNCC1 | | InChi: | InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12) | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine |
|
 | | Z7T | | Name: | 2-(cyclopentylamino)pyridine-4-carboxamide | | Formula: | C11 H15 N3 O | | SMILES: | NC(=O)c1ccnc(NC2CCCC2)c1 | | InChi: | InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-(cyclopentylamino)pyridine-4-carboxamide |
|
 | | ZRR | | Name: | (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol | | Formula: | C22 H28 N10 O | | SMILES: | CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1 | | InChi: | InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26) | | Definition date: | 2023-03-27 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol |
|
 | | XPW | | Name: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile | | Formula: | C25 H28 N6 O3 | | SMILES: | CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O | | InChi: | InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1 | | Synonyms: | GSK2798745 | | Definition date: | 2022-12-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile |
|
 | | Z9I | | Name: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine | | Formula: | C6 H14 N2 O2 S | | SMILES: | NCC1CCCN1S(=O)(C)=O | | InChi: | InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1 | | Definition date: | 2023-06-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine |
|
