| General Property |
| Molceule ID (DB) | EGIN0000908 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | ethyl (2E)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)prop-2-enoate |
| Formula | C20H17BrN4O3 |
| Mass | 441.278 |
| Exact Mass | 440.0484031 |
| Composition | C (54.44%), H (3.88%), Br (18.11%), N (12.7%), O (10.88%) |
| Atom Count | 45 |
| PI | 9.07 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)OCC |
| InChI | 1S/C20H17BrN4O3/c1-2-28-19(27)9-8-18(26)24-15-6-7-17-16(11-15)20(23-12-22-17)25-14-5-3-4-13(21)10-14
/h3-12H,2H2,1H3,(H,24,26)(H,22,23,25)/b9-8+ |
| InChIKey | VWESXNFYLQAEJY-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 | 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 |
5329080
|
| Drug Bank Link | - |
| ChemSpider Link | 4486242 |
| ChEMBL Link | CHEMBL344486 |
