| General Property |
| Molceule ID (DB) | EGIN0000399 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 41 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide |
| Formula | C25H23ClFN5O3 |
| Mass | 495.933 |
| Exact Mass | 495.1473455 |
| Composition | C (60.55%), H (4.67%), Cl (7.15%), F (3.83%), N (14.12%), O (9.68%) |
| Atom Count | 58 |
| PI | 9.46 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN1CCOCC1)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C25H23ClFN5O3/c1-34-23-13-21-18(12-22(23)31-24(33)3-2-6-32-7-9-35-10-8-32)25(16(14-28)15-29-21)30
-17-4-5-20(27)19(26)11-17/h2-5,11-13,15H,6-10H2,1H3,(H,29,30)(H,31,33)/b3-2+ |
| InChIKey | RAKHHLWOXRVOCS-NSCUHMNNSA-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 |
9891993
|
| Drug Bank Link | - |
| ChemSpider Link | 8067663 |
| ChEMBL Link | CHEMBL113996 |
