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 | ![](./image/EGIN0002631.png) | Structure Backbone | ![](./frame/f_EGIN0002631.png) |
|
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 |