| General Property |
| Molceule ID (DB) | EGIN0000907 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | (2E)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)prop-2-enoic acid |
| Formula | C18H13BrN4O3 |
| Mass | 413.225 |
| Exact Mass | 412.0171029 |
| Composition | C (52.32%), H (3.17%), Br (19.34%), N (13.56%), O (11.62%) |
| Atom Count | 39 |
| PI | 3.59 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)O |
| InChI | 1S/C18H13BrN4O3/c19-11-2-1-3-12(8-11)23-18-14-9-13(4-5-15(14)20-10-21-18)22-16(24)6-7-17(25)26/h1-10
H,(H,22,24)(H,25,26)(H,20,21,23)/b7-6+ |
| InChIKey | DZDCQTBAAQYSND-VOTSOKGWSA-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 |
5329079
|
| Drug Bank Link | - |
| ChemSpider Link | 4486241 |
| ChEMBL Link | CHEMBL134371 |
