| General Property |
| Molceule ID (DB) | EGIN0003322 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8h compound |
| IUPAC Name | (2E)-N-{4-[(1-benzyl-1H-indazol-5-yl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C31H29N7O2 |
| Mass | 531.6077 |
| Exact Mass | 531.2382732 |
| Composition | C (70.04%), H (5.5%), N (18.44%), O (6.02%) |
| Atom Count | 69 |
| PI | 10.68 |
| Smiles | n1(ncc2c1ccc(Nc1c3c(ncc1C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OC)c2)Cc1ccccc1 |
| InChI | 1S/C31H29N7O2/c1-37(2)13-7-10-30(39)36-27-15-25-26(16-29(27)40-3)33-18-23(17-32)31(25)35-24-11-12-28
-22(14-24)19-34-38(28)20-21-8-5-4-6-9-21/h4-12,14-16,18-19H,13,20H2,1-3H3,(H,33,35)(H,36,39)/b10-7+ |
| InChIKey | WOAVUZPOSJDYLY-JXMROGBWSA-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 | 15715478 |
| 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 |
11398461
|
| Drug Bank Link | - |
| ChemSpider Link | 9573361 |
| ChEMBL Link | CHEMBL180227 |
