| General Property |
| Molceule ID (DB) | EGIN0000394 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-8-methoxyquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide |
| Formula | C25H24BrN5O3 |
| Mass | 522.394 |
| Exact Mass | 521.1062523 |
| Composition | C (57.48%), H (4.63%), Br (15.3%), N (13.41%), O (9.19%) |
| Atom Count | 58 |
| PI | 10.22 |
| Smiles | c12c(c(cc(c1)NC(=O)/C=C/CN1CCOCC1)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C25H24BrN5O3/c1-33-22-14-20(29-23(32)6-3-7-31-8-10-34-11-9-31)13-21-24(17(15-27)16-28-25(21)22)30
-19-5-2-4-18(26)12-19/h2-6,12-14,16H,7-11H2,1H3,(H,28,30)(H,29,32)/b6-3+ |
| InChIKey | QROTXBMVKQDLPG-ZZXKWVIFSA-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 |
10029703
|
| Drug Bank Link | - |
| ChemSpider Link | 8205274 |
| ChEMBL Link | CHEMBL113985 |
