| General Property |
| Molceule ID (DB) | EGIN0002316 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6t compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-{4-[(2-ethyl-1H-imidazol-1-yl)methyl]phenyl}-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C23H19ClFN7S |
| Mass | 479.96 |
| Exact Mass | 479.1095202 |
| Composition | C (57.56%), H (3.99%), Cl (7.39%), F (3.96%), N (20.43%), S (6.68%) |
| Atom Count | 52 |
| PI | 9.85 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)Cn1ccnc1CC |
| InChI | 1S/C23H19ClFN7S/c1-2-19-26-9-10-32(19)12-14-3-5-15(6-4-14)30-23-31-22-20(33-23)21(27-13-28-22)29-16-
7-8-18(25)17(24)11-16/h3-11,13H,2,12H2,1H3,(H2,27,28,29,30,31) |
| InChIKey | YWBUMHFXOAMBLH-UHFFFAOYSA-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 | 19286381 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
44592375
|
| Drug Bank Link | - |
| ChemSpider Link | 24696127 |
| ChEMBL Link | CHEMBL471058 |
