| General Property |
| Molceule ID (DB) | EGIN0002445 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 15 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-3-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]prop-2-enamide |
| Formula | C25H20ClF2N7O2 |
| Mass | 523.922 |
| Exact Mass | 523.133507 |
| Composition | C (57.31%), H (3.85%), Cl (6.77%), F (7.25%), N (18.71%), O (6.11%) |
| Atom Count | 57 |
| PI | 8.32 |
| Smiles | C(=O)(/C=C/c1nnn(c1)CCF)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C25H20ClF2N7O2/c1-2-37-23-11-21-18(10-22(23)32-24(36)6-4-17-14-35(8-7-27)34-33-17)25(15(12-29)13-
30-21)31-16-3-5-20(28)19(26)9-16/h3-6,9-11,13-14H,2,7-8H2,1H3,(H,30,31)(H,32,36)/b6-4+ |
| InChIKey | ZSMLGVFRQDVJPG-GQCTYLIASA-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 | 20797871 |
| 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 |
46937468
|
| Drug Bank Link | - |
| ChemSpider Link | 26352582 |
| ChEMBL Link | CHEMBL1243346 |
