| General Property |
| Molceule ID (DB) | EGIN0000902 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4,4,4-trifluorobut-2-enamide |
| Formula | C18H12BrF3N4O |
| Mass | 437.213 |
| Exact Mass | 436.0146583 |
| Composition | C (49.45%), H (2.77%), Br (18.28%), F (13.04%), N (12.81%), O (3.66%) |
| Atom Count | 39 |
| PI | 9.08 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(F)(F)F |
| InChI | 1S/C18H12BrF3N4O/c19-11-2-1-3-12(8-11)26-17-14-9-13(4-5-15(14)23-10-24-17)25-16(27)6-7-18(20,21)22/h
1-10H,(H,25,27)(H,23,24,26)/b7-6+ |
| InChIKey | IINXAWRVTBPNCW-VOTSOKGWSA-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 | 11462982 |
| 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 |
5329074
|
| Drug Bank Link | - |
| ChemSpider Link | 4486236 |
| ChEMBL Link | CHEMBL135142 |
