| General Property |
| Molceule ID (DB) | EGIN0003971 |
| Inhibitor Class | Benzo-furanone |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 4-{[(2S)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3-oxo-2,3-dihydro-1-benzofuran-2-yl]methyl}benzene-1-sulfonamide |
| Formula | C21H24N2O6S |
| Mass | 432.49 |
| Exact Mass | 432.1355072 |
| Composition | C (58.32%), H (5.59%), N (6.48%), O (22.2%), S (7.41%) |
| Atom Count | 54 |
| PI | 7.5 |
| Smiles | c1(cc(c(c2c1C(=O)[C@@H](O2)Cc1ccc(cc1)S(=O)(=O)N)C1CCN(CC1)C)O)O |
| InChI | 1S/C21H24N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(
22,27)28/h2-5,11,13,17,24-25H,6-10H2,1H3,(H2,22,27,28)/t17-/m0/s1 |
| InChIKey | AZLPPRYSPREVAY-KRWDZBQOSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 11960485 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/D1 | CDK2/A | GSK-3 | CDK1/B | VEGF-KDR | PKCR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
