| General Property |
| Molceule ID (DB) | EGIN0002303 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | 4-[(7-{[3-chloro-4-(morpholin-4-yl)phenyl]amino}-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzene-1-sulfonamide |
| Formula | C21H20ClN7O3S2 |
| Mass | 518.012 |
| Exact Mass | 517.0757566 |
| Composition | C (48.69%), H (3.89%), Cl (6.84%), N (18.93%), O (9.27%), S (12.38%) |
| Atom Count | 54 |
| PI | 7.05 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)N1CCOCC1)Cl)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C21H20ClN7O3S2/c22-16-11-14(3-6-17(16)29-7-9-32-10-8-29)26-19-18-20(25-12-24-19)28-21(33-18)27-13
-1-4-15(5-2-13)34(23,30)31/h1-6,11-12H,7-10H2,(H2,23,30,31)(H2,24,25,26,27,28) |
| InChIKey | LQWYNTJSHSREKZ-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 |
16037276
|
| Drug Bank Link | - |
| ChemSpider Link | 13165867 |
| ChEMBL Link | CHEMBL469996 |
