| General Property |
| Molceule ID (DB) | EGIN0000392 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide |
| Formula | C26H26BrN5O3 |
| Mass | 536.42 |
| Exact Mass | 535.1219024 |
| Composition | C (58.22%), H (4.89%), Br (14.9%), N (13.06%), O (8.95%) |
| Atom Count | 61 |
| PI | 9.46 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN1CCOCC1)OCC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C26H26BrN5O3/c1-2-35-24-15-22-21(14-23(24)31-25(33)7-4-8-32-9-11-34-12-10-32)26(18(16-28)17-29-22
)30-20-6-3-5-19(27)13-20/h3-7,13-15,17H,2,8-12H2,1H3,(H,29,30)(H,31,33)/b7-4+ |
| InChIKey | NASQXHHMCASBFI-QPJJXVBHSA-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 | 12502359 |
| 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 |
9984664
|
| Drug Bank Link | - |
| ChemSpider Link | 8160254 |
| ChEMBL Link | CHEMBL116012 |
