| General Property |
| Molceule ID (DB) | EGIN0001482 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}-N-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)quinazolin-4-amine |
| Formula | C28H24F3N5O3S2 |
| Mass | 599.647 |
| Exact Mass | 599.1272657 |
| Composition | C (56.08%), H (4.03%), F (9.5%), N (11.68%), O (8%), S (10.69%) |
| Atom Count | 65 |
| PI | 10.06 |
| Smiles | n1c(csc1NCCS(=O)(=O)C)c1cc2c(ncnc2cc1)Nc1ccc(OCc2cc(C(F)(F)F)ccc2)cc1 |
| InChI | 1S/C28H24F3N5O3S2/c1-41(37,38)12-11-32-27-36-25(16-40-27)19-5-10-24-23(14-19)26(34-17-33-24)35-21-6-
8-22(9-7-21)39-15-18-3-2-4-20(13-18)28(29,30)31/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,32,36)(H,33,34,
35) |
| InChIKey | VTMJQSPPJIJGNW-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 | 12639547 |
| 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 |
44372283
|
| Drug Bank Link | - |
| ChemSpider Link | 23228911 |
| ChEMBL Link | CHEMBL269620 |
