| General Property |
| Molceule ID (DB) | EGIN0001069 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25a compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(dimethylamino)prop-2-enamide |
| Formula | C19H18BrN5O |
| Mass | 412.283 |
| Exact Mass | 411.0694729 |
| Composition | C (55.35%), H (4.4%), Br (19.38%), N (16.99%), O (3.88%) |
| Atom Count | 44 |
| PI | 10.46 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/N(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C19H18BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-12H
,1-2H3,(H,23,26)(H,21,22,24)/b9-8+ |
| InChIKey | FSGPEDYXNUKDAG-CMDGGOBGSA-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 | 11495584 |
| 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 |
5328986
|
| Drug Bank Link | - |
| ChemSpider Link | 4486148 |
| ChEMBL Link | CHEMBL91748 |
