| General Property |
| Molceule ID (DB) | EGIN0000398 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(diethylamino)but-2-enamide |
| Formula | C25H25ClFN5O2 |
| Mass | 481.95 |
| Exact Mass | 481.168081 |
| Composition | C (62.3%), H (5.23%), Cl (7.36%), F (3.94%), N (14.53%), O (6.64%) |
| Atom Count | 59 |
| PI | 10.95 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(CC)CC)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C25H25ClFN5O2/c1-4-32(5-2)10-6-7-24(33)31-22-12-18-21(13-23(22)34-3)29-15-16(14-28)25(18)30-17-8-
9-20(27)19(26)11-17/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,29,30)(H,31,33)/b7-6+ |
| InChIKey | BYEZGHDYNSABOZ-VOTSOKGWSA-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 |
9934935
|
| Drug Bank Link | - |
| ChemSpider Link | 8110563 |
| ChEMBL Link | CHEMBL424252 |
