| General Property |
| Molceule ID (DB) | EGIN0000391 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C24H24BrN5O2 |
| Mass | 494.384 |
| Exact Mass | 493.1113377 |
| Composition | C (58.31%), H (4.89%), Br (16.16%), N (14.17%), O (6.47%) |
| Atom Count | 56 |
| PI | 10.67 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OCC)ncc(c2Nc1cccc(c1)Br)C#N |
| InChI | 1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7
-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+ |
| InChIKey | VTUZXOFBDITYJD-RMKNXTFCSA-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 |
9913648
|
| Drug Bank Link | - |
| ChemSpider Link | 8089298 |
| ChEMBL Link | CHEMBL114728 |
