| General Property |
| Molceule ID (DB) | EGIN0000547 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxyquinazolin-4-amine |
| Formula | C26H20F4N4O2S2 |
| Mass | 560.586 |
| Exact Mass | 560.0963801 |
| Composition | C (55.71%), H (3.6%), F (13.56%), N (9.99%), O (5.71%), S (11.44%) |
| Atom Count | 58 |
| PI | 10.35 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(s1)cccc3)OC)ncnc2Nc1ccc(c(c1)C(F)(F)F)F |
| InChI | 1S/C26H20F4N4O2S2/c1-35-21-13-20-16(24(32-14-31-20)33-15-7-8-18(27)17(11-15)26(28,29)30)12-22(21)36-
9-4-10-37-25-34-19-5-2-3-6-23(19)38-25/h2-3,5-8,11-14H,4,9-10H2,1H3,(H,31,32,33) |
| InChIKey | ZERGTCQROGHUJT-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 | 18771819 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
