| General Property |
| Molceule ID (DB) | EGIN0003307 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(1H-imidazol-1-yl)phenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C26H24ClN7O2 |
| Mass | 501.967 |
| Exact Mass | 501.1680008 |
| Composition | C (62.21%), H (4.82%), Cl (7.06%), N (19.53%), O (6.37%) |
| Atom Count | 60 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(n2cncc2)cc1)Cl |
| InChI | 1S/C26H24ClN7O2/c1-33(2)9-4-5-25(35)32-22-12-19-21(13-24(22)36-3)30-15-17(14-28)26(19)31-18-6-7-23(2
0(27)11-18)34-10-8-29-16-34/h4-8,10-13,15-16H,9H2,1-3H3,(H,30,31)(H,32,35)/b5-4+ |
| InChIKey | OCOAWZRMFFUFOR-SNAWJCMRSA-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 |
11202869
|
| Drug Bank Link | - |
| ChemSpider Link | 9377937 |
| ChEMBL Link | CHEMBL179458 |
