| General Property |
| Molceule ID (DB) | EGIN0002315 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6s compound |
| IUPAC Name | [(2S)-1-{[4-({7-[(3-chloro-4-fluorophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)phenyl]methyl}pyrrolidin-2-yl]methanol |
| Formula | C23H22ClFN6OS |
| Mass | 484.977 |
| Exact Mass | 484.124836 |
| Composition | C (56.96%), H (4.57%), Cl (7.31%), F (3.92%), N (17.33%), O (3.3%), S (6.61%) |
| Atom Count | 55 |
| PI | 10.74 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN1CCC[C@H]1CO |
| InChI | 1S/C23H22ClFN6OS/c24-18-10-16(7-8-19(18)25)28-21-20-22(27-13-26-21)30-23(33-20)29-15-5-3-14(4-6-15)1
1-31-9-1-2-17(31)12-32/h3-8,10,13,17,32H,1-2,9,11-12H2,(H2,26,27,28,29,30)/t17-/m0/s1 |
| InChIKey | NBTIZPGKEWLXFV-KRWDZBQOSA-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 |
44592374
|
| Drug Bank Link | - |
| ChemSpider Link | 24714267 |
| ChEMBL Link | CHEMBL511990 |
