| General Property |
| Molceule ID (DB) | EGIN0000393 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-8-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 | 11.45 |
| Smiles | c12c(c(cc(c1)NC(=O)/C=C/CN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(1
2-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+ |
| InChIKey | MPNMKIMGGUGYMJ-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 |
11102890
|
| Drug Bank Link | - |
| ChemSpider Link | 9278032 |
| ChEMBL Link | CHEMBL116857 |
