| General Property |
| Molceule ID (DB) | EGIN0000898 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-methylprop-2-enamide |
| Formula | C18H15BrN4O |
| Mass | 383.242 |
| Exact Mass | 382.0429238 |
| Composition | C (56.41%), H (3.95%), Br (20.85%), N (14.62%), O (4.17%) |
| Atom Count | 39 |
| PI | 9.07 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)C(=C)C |
| InChI | 1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2
H3,(H,23,24)(H,20,21,22) |
| InChIKey | YBGIIBLAQDXGRC-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 | 11462982 | 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 |
5328981
|
| Drug Bank Link | - |
| ChemSpider Link | 4486143 |
| ChEMBL Link | CHEMBL92086 |
