| General Property |
| Molceule ID (DB) | EGIN0000407 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}but-2-enamide |
| Formula | C22H18ClFN4O2 |
| Mass | 424.855 |
| Exact Mass | 424.1102318 |
| Composition | C (62.19%), H (4.27%), Cl (8.34%), F (4.47%), N (13.19%), O (7.53%) |
| Atom Count | 48 |
| PI | 8.36 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/C)OCC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C22H18ClFN4O2/c1-3-5-21(29)28-19-9-15-18(10-20(19)30-4-2)26-12-13(11-25)22(15)27-14-6-7-17(24)16(
23)8-14/h3,5-10,12H,4H2,1-2H3,(H,26,27)(H,28,29)/b5-3+ |
| InChIKey | WPNUYJGYQVXMPI-HWKANZROSA-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 |
11037303
|
| Drug Bank Link | - |
| ChemSpider Link | 9212477 |
| ChEMBL Link | CHEMBL113902 |
