| General Property |
| Molceule ID (DB) | EGIN0003972 |
| Inhibitor Class | Benzo-furanone |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | (2S)-4,6-dihydroxy-2-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-7-(1-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-3-one |
| Formula | C26H33N3O4 |
| Mass | 451.5579 |
| Exact Mass | 451.2471066 |
| Composition | C (69.16%), H (7.37%), N (9.31%), O (14.17%) |
| Atom Count | 66 |
| PI | 8.01 |
| Smiles | c1(cc(c(c2c1C(=O)[C@@H](O2)Cc1ccc(cc1)N1CCN(CC1)C)C1CCN(CC1)C)O)O |
| InChI | 1S/C26H33N3O4/c1-27-9-7-18(8-10-27)23-20(30)16-21(31)24-25(32)22(33-26(23)24)15-17-3-5-19(6-4-17)29-
13-11-28(2)12-14-29/h3-6,16,18,22,30-31H,7-15H2,1-2H3/t22-/m0/s1 |
| InChIKey | VPHXSOOEACLCDY-QFIPXVFZSA-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 | GSK-3 | CDK4/D1 | CDK2/A | CDK1/B | PKCR | VEGF-KDR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
