| General Property |
| Molceule ID (DB) | EGIN0000402 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | (2E,4R)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(diethylamino)pent-2-enamide |
| Formula | C26H27ClFN5O2 |
| Mass | 495.976 |
| Exact Mass | 495.183731 |
| Composition | C (62.96%), H (5.49%), Cl (7.15%), F (3.83%), N (14.12%), O (6.45%) |
| Atom Count | 62 |
| PI | 11.08 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/[C@H](N(CC)CC)C)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C26H27ClFN5O2/c1-5-33(6-2)16(3)7-10-25(34)32-23-12-19-22(13-24(23)35-4)30-15-17(14-29)26(19)31-18
-8-9-21(28)20(27)11-18/h7-13,15-16H,5-6H2,1-4H3,(H,30,31)(H,32,34)/b10-7+/t16-/m1/s1 |
| InChIKey | OYSSIBSGJAMGFJ-OJXHRBAXSA-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 |
10973080
|
| Drug Bank Link | - |
| ChemSpider Link | 9148286 |
| ChEMBL Link | CHEMBL325156 |
