| General Property |
| Molceule ID (DB) | EGIN0002632 |
| Inhibitor Class | Flavopiridol |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 2-[(2-chlorophenyl)sulfanyl]-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one |
| Formula | C21H20ClNO5S |
| Mass | 433.905 |
| Exact Mass | 433.0750712 |
| Composition | C (58.13%), H (4.65%), Cl (8.17%), N (3.23%), O (18.44%), S (7.39%) |
| Atom Count | 49 |
| PI | 7.02 |
| Smiles | c12c(c(c(cc2O)O)[C@@H]2[C@@H](CN(CC2)C)O)oc(cc1=O)Sc1c(Cl)cccc1 |
| InChI | 1S/C21H20ClNO5S/c1-23-7-6-11(16(27)10-23)19-13(24)8-14(25)20-15(26)9-18(28-21(19)20)29-17-5-3-2-4-12
(17)22/h2-5,8-9,11,16,24-25,27H,6-7,10H2,1H3/t11-,16+/m0/s1 |
| InChIKey | KMOIDYHHPHGHBT-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 | CDK1/CycB1 | PKC | CDK4/Cyc | CDK2/CycE | ALL |
| Pub Chem Link |
5329714
|
| Drug Bank Link | - |
| ChemSpider Link | 4486865 |
| ChEMBL Link | CHEMBL334881 |
