| General Property |
| Molceule ID (DB) | EGIN0000219 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | N-{4-[(3-bromo-4-fluorophenyl)amino]quinazolin-6-yl}prop-2-enamide |
| Formula | C17H12BrFN4O |
| Mass | 387.206 |
| Exact Mass | 386.0178519 |
| Composition | C (52.73%), H (3.12%), Br (20.64%), F (4.91%), N (14.47%), O (4.13%) |
| Atom Count | 36 |
| PI | 9.18 |
| Smiles | O=C(Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Br)F)C=C |
| InChI | 1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(
H,22,24)(H,20,21,23) |
| InChIKey | YXFCBQUDPXMRJR-UHFFFAOYSA-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 | 10346932 | 10753475 | 10956451 | |
| 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 |
10691590
|
| Drug Bank Link | - |
| ChemSpider Link | 8866935 |
| ChEMBL Link | CHEMBL280757 |
