| General Property |
| Molceule ID (DB) | EGIN0000403 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 45 compound |
| IUPAC Name | (2E,4R)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(morpholin-4-yl)pent-2-enamide |
| Formula | C26H25ClFN5O3 |
| Mass | 509.96 |
| Exact Mass | 509.1629956 |
| Composition | C (61.24%), H (4.94%), Cl (6.95%), F (3.73%), N (13.73%), O (9.41%) |
| Atom Count | 61 |
| PI | 9.59 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/[C@H](N1CCOCC1)C)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C26H25ClFN5O3/c1-16(33-7-9-36-10-8-33)3-6-25(34)32-23-12-19-22(13-24(23)35-2)30-15-17(14-29)26(19
)31-18-4-5-21(28)20(27)11-18/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,30,31)(H,32,34)/b6-3+/t16-/m1/s1 |
| InChIKey | WOFIZAYJDLKJBI-WUTVXBCWSA-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 |
10918242
|
| Drug Bank Link | - |
| ChemSpider Link | 9093494 24813463 |
| ChEMBL Link | CHEMBL114073 |
