| General Property |
| Molceule ID (DB) | EGIN0000400 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 42 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-(trifluoromethoxy)quinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C23H18ClF4N5O2 |
| Mass | 507.868 |
| Exact Mass | 507.1085154 |
| Composition | C (54.39%), H (3.57%), Cl (6.98%), F (14.96%), N (13.79%), O (6.3%) |
| Atom Count | 53 |
| PI | 10.6 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OC(F)(F)F)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C23H18ClF4N5O2/c1-33(2)7-3-4-21(34)32-19-9-15-18(10-20(19)35-23(26,27)28)30-12-13(11-29)22(15)31-
14-5-6-17(25)16(24)8-14/h3-6,8-10,12H,7H2,1-2H3,(H,30,31)(H,32,34)/b4-3+ |
| InChIKey | TVFXIBINWPOVQP-ONEGZZNKSA-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 |
10951285
|
| Drug Bank Link | - |
| ChemSpider Link | 9126506 |
| ChEMBL Link | CHEMBL421047 |
