| General Property |
| Molceule ID (DB) | EGIN0003969 |
| Inhibitor Class | Benzo-furanone |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-3-one |
| Formula | C21H20ClNO4 |
| Mass | 385.841 |
| Exact Mass | 385.1080858 |
| Composition | C (65.37%), H (5.22%), Cl (9.19%), N (3.63%), O (16.59%) |
| Atom Count | 47 |
| PI | 7.75 |
| Smiles | c12c(O/C(=Cc3c(Cl)cccc3)/C1=O)c(c(cc2O)O)C1CCN(CC1)C |
| InChI | 1S/C21H20ClNO4/c1-23-8-6-12(7-9-23)18-15(24)11-16(25)19-20(26)17(27-21(18)19)10-13-4-2-3-5-14(13)22/
h2-5,10-12,24-25H,6-9H2,1H3/b17-10- |
| InChIKey | BXCQAEHFWJFGAT-YVLHZVERSA-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 | VEGF-KDR | PKCR | ALL |
| Pub Chem Link |
6538899
|
| Drug Bank Link | - |
| ChemSpider Link | 5021367 |
| ChEMBL Link | CHEMBL48614 |
