| General Property |
| Molceule ID (DB) | EGIN0004366 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | (R)-ROSCOVITINE |
| IUPAC Name | (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol |
| Formula | C19H26N6O |
| Mass | 354.4493 |
| Exact Mass | 354.2168095 |
| Composition | C (64.38%), H (7.39%), N (23.71%), O (4.51%) |
| Atom Count | 52 |
| PI | 10.19 |
| Smiles | n1c(NCc2ccccc2)c2ncn(c2nc1N[C@H](CC)CO)C(C)C |
| InChI | 1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-
13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 |
| InChIKey | BTIHMVBBUGXLCJ-OAHLLOKOSA-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 | 22000924 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/D | CDK2/A | ALL |
| Pub Chem Link |
160355
|
| Drug Bank Link | - |
| ChemSpider Link | 140922 |
| ChEMBL Link | CHEMBL14762 |
