| General Property |
| Molceule ID (DB) | EGIN0000906 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-oxopent-2-enamide |
| Formula | C19H15BrN4O2 |
| Mass | 411.252 |
| Exact Mass | 410.0378384 |
| Composition | C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%) |
| Atom Count | 41 |
| PI | 9.09 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)C |
| InChI | 1S/C19H15BrN4O2/c1-12(25)5-8-18(26)23-15-6-7-17-16(10-15)19(22-11-21-17)24-14-4-2-3-13(20)9-14/h2-11
H,1H3,(H,23,26)(H,21,22,24)/b8-5+ |
| InChIKey | GOZHWVCSXUTKRE-VMPITWQZSA-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 |
5329078
|
| Drug Bank Link | - |
| ChemSpider Link | 4486240 |
| ChEMBL Link | CHEMBL136178 |
