| General Property |
| Molceule ID (DB) | EGIN0002304 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6h compound |
| IUPAC Name | 4-[(7-{[4-(morpholin-4-yl)phenyl]amino}-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzene-1-sulfonamide |
| Formula | C21H21N7O3S2 |
| Mass | 483.567 |
| Exact Mass | 483.114729 |
| Composition | C (52.16%), H (4.38%), N (20.28%), O (9.93%), S (13.26%) |
| Atom Count | 54 |
| PI | 7.06 |
| Smiles | n1c(sc2c1ncnc2Nc1ccc(cc1)N1CCOCC1)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C21H21N7O3S2/c22-33(29,30)17-7-3-15(4-8-17)26-21-27-20-18(32-21)19(23-13-24-20)25-14-1-5-16(6-2-1
4)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H2,22,29,30)(H2,23,24,25,26,27) |
| InChIKey | FKDUBVDJXKIANS-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 |
44592254
|
| Drug Bank Link | - |
| ChemSpider Link | 24714166 |
| ChEMBL Link | CHEMBL511449 |
