| General Property |
| Molceule ID (DB) | EGIN0004669 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 31 |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-nitrophenyl)prop-2-enamide |
| Formula | C23H16BrN5O3 |
| Mass | 490.309 |
| Exact Mass | 489.0436521 |
| Composition | C (56.34%), H (3.29%), Br (16.3%), N (14.28%), O (9.79%) |
| Atom Count | 48 |
| PI | 9.11 |
| Smiles | c1(ccccc1[N+](=O)[O-])/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br |
| InChI | 1S/C23H16BrN5O3/c24-16-5-3-6-17(12-16)28-23-19-13-18(9-10-20(19)25-14-26-23)27-22(30)11-8-15-4-1-2-7
-21(15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b11-8+ |
| InChIKey | QKMIUXGTOIHPPR-DHZHZOJOSA-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 | 21763148 |
| 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 |
56659322
|
| Drug Bank Link | - |
| ChemSpider Link | 26646196 |
| ChEMBL Link | CHEMBL1812560 |
