| General Property |
| Molceule ID (DB) | EGIN0003968 |
| Inhibitor Class | Benzo-furanone |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | (2S)-2-benzyl-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-3-one |
| Formula | C21H23NO4 |
| Mass | 353.4116 |
| Exact Mass | 353.1627082 |
| Composition | C (71.37%), H (6.56%), N (3.96%), O (18.11%) |
| Atom Count | 49 |
| PI | 7.57 |
| Smiles | c1(cc(c(c2c1C(=O)[C@@H](O2)Cc1ccccc1)C1CCN(CC1)C)O)O |
| InChI | 1S/C21H23NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,
12,14,17,23-24H,7-11H2,1H3/t17-/m0/s1 |
| InChIKey | VPSRLUNWUKOXCI-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 | CDK1/B | CDK2/A | GSK-3 | CDK4/D1 | VEGF-KDR | PKCR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
