| General Property |
| Molceule ID (DB) | EGIN0001446 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)-N-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)quinazolin-4-amine |
| Formula | C29H26F3N5O3S2 |
| Mass | 613.674 |
| Exact Mass | 613.1429157 |
| Composition | C (56.76%), H (4.27%), F (9.29%), N (11.41%), O (7.82%), S (10.45%) |
| Atom Count | 68 |
| PI | 11.57 |
| Smiles | n1cnc2c(c1Nc1ccc(cc1)OCc1cccc(c1)C(F)(F)F)cc(cc2)c1nc(sc1)CNCCS(=O)(=O)C |
| InChI | 1S/C29H26F3N5O3S2/c1-42(38,39)12-11-33-15-27-37-26(17-41-27)20-5-10-25-24(14-20)28(35-18-34-25)36-22
-6-8-23(9-7-22)40-16-19-3-2-4-21(13-19)29(30,31)32/h2-10,13-14,17-18,33H,11-12,15-16H2,1H3,(H,34,35,
36) |
| InChIKey | OOURSYCFPYHWPU-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 | 17270437 |
| 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 |
5329478
|
| Drug Bank Link | - |
| ChemSpider Link | 4486629 |
| ChEMBL Link | CHEMBL188304 |
