| General Property |
| Molceule ID (DB) | EGIN0002312 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6p compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-{4-[2-(dimethylamino)ethyl]phenyl}-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C21H20ClFN6S |
| Mass | 442.94 |
| Exact Mass | 442.1142713 |
| Composition | C (56.94%), H (4.55%), Cl (8%), F (4.29%), N (18.97%), S (7.24%) |
| Atom Count | 50 |
| PI | 10.93 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CCN(C)C |
| InChI | 1S/C21H20ClFN6S/c1-29(2)10-9-13-3-5-14(6-4-13)27-21-28-20-18(30-21)19(24-12-25-20)26-15-7-8-17(23)16
(22)11-15/h3-8,11-12H,9-10H2,1-2H3,(H2,24,25,26,27,28) |
| InChIKey | DKDKYLIXOSFJHV-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 |
16037084
|
| Drug Bank Link | - |
| ChemSpider Link | 13165677 |
| ChEMBL Link | CHEMBL470218 |
