| General Property |
| Molceule ID (DB) | EGIN0002633 |
| Inhibitor Class | Flavopiridol |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 2-(2-chlorophenoxy)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one |
| Formula | C21H20ClNO6 |
| Mass | 417.84 |
| Exact Mass | 417.0979151 |
| Composition | C (60.36%), H (4.82%), Cl (8.48%), N (3.35%), O (22.97%) |
| Atom Count | 49 |
| PI | 6.99 |
| Smiles | c12c(c(c(cc2O)O)[C@@H]2[C@@H](CN(CC2)C)O)oc(cc1=O)Oc1c(Cl)cccc1 |
| InChI | 1S/C21H20ClNO6/c1-23-7-6-11(16(27)10-23)19-13(24)8-14(25)20-15(26)9-18(29-21(19)20)28-17-5-3-2-4-12(
17)22/h2-5,8-9,11,16,24-25,27H,6-7,10H2,1H3/t11-,16+/m0/s1 |
| InChIKey | PKSFLOGCPXWJIU-MEDUHNTESA-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 | 11063609 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MAP | PKA | PKC | CDK1/CycB1 | CDK2/CycE | CDK4/Cyc | ALL |
| Pub Chem Link |
5329715
|
| Drug Bank Link | - |
| ChemSpider Link | 4486866 |
| ChEMBL Link | CHEMBL133498 |
