| General Property |
| Molceule ID (DB) | EGIN0002309 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6m compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C23H22ClFN6S |
| Mass | 468.977 |
| Exact Mass | 468.1299213 |
| Composition | C (58.9%), H (4.73%), Cl (7.56%), F (4.05%), N (17.92%), S (6.84%) |
| Atom Count | 54 |
| PI | 10.76 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN1CCCCC1 |
| InChI | 1S/C23H22ClFN6S/c24-18-12-17(8-9-19(18)25)28-21-20-22(27-14-26-21)30-23(32-20)29-16-6-4-15(5-7-16)13
-31-10-2-1-3-11-31/h4-9,12,14H,1-3,10-11,13H2,(H2,26,27,28,29,30) |
| InChIKey | DLMNHRYJMPUZPA-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 |
16036986
|
| Drug Bank Link | - |
| ChemSpider Link | 13165580 |
| ChEMBL Link | CHEMBL470011 |
