| General Property |
| Molceule ID (DB) | EGIN0000389 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C23H22BrN5O2 |
| Mass | 480.357 |
| Exact Mass | 479.0956876 |
| Composition | C (57.51%), H (4.62%), Br (16.63%), N (14.58%), O (6.66%) |
| Atom Count | 53 |
| PI | 10.68 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C23H22BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16
(24)10-17/h4-8,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)/b8-5+ |
| InChIKey | SNKBFOKVNBZMBE-VMPITWQZSA-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 |
10322889
|
| Drug Bank Link | - |
| ChemSpider Link | 8498353 |
| ChEMBL Link | CHEMBL263788 |
