| General Property |
| Molceule ID (DB) | EGIN0002313 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6q compound |
| IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C22H20ClFN6S |
| Mass | 454.951 |
| Exact Mass | 454.1142713 |
| Composition | C (58.08%), H (4.43%), Cl (7.79%), F (4.18%), N (18.47%), S (7.05%) |
| Atom Count | 51 |
| PI | 10.84 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN1CCCC1 |
| InChI | 1S/C22H20ClFN6S/c23-17-11-16(7-8-18(17)24)27-20-19-21(26-13-25-20)29-22(31-19)28-15-5-3-14(4-6-15)12
-30-9-1-2-10-30/h3-8,11,13H,1-2,9-10,12H2,(H2,25,26,27,28,29) |
| InChIKey | OZKNISAADTWAGZ-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 |
16037085
|
| Drug Bank Link | - |
| ChemSpider Link | 13165678 |
| ChEMBL Link | CHEMBL470219 |
