| General Property |
| Molceule ID (DB) | EGIN0002631 |
| Inhibitor Class | Flavopiridol |
| Molecule Name in Refrence Article | FLAVOPIRIDOL |
| IUPAC Name | 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one |
| Formula | C21H20ClNO5 |
| Mass | 401.84 |
| Exact Mass | 401.1030005 |
| Composition | C (62.77%), H (5.02%), Cl (8.82%), N (3.49%), O (19.91%) |
| Atom Count | 48 |
| PI | 7.03 |
| Smiles | CN1CC[C@@H]([C@@H](C1)O)c1c2oc(cc(=O)c2c(O)cc1O)c1c(Cl)cccc1 |
| InChI | 1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)
22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 |
| InChIKey | BIIVYFLTOXDAOV-YVEFUNNKSA-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 | 11063609 | 12190313 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | CDK4/Cyc | PKC | CDK2/CycE | MAP | CDK1/CycB1 | ALL |
| Pub Chem Link |
5287969
|
| Drug Bank Link | - |
| ChemSpider Link | 4450222 |
| ChEMBL Link | CHEMBL428690 |
