| General Property |
| Molceule ID (DB) | EGIN0000401 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 43 compound |
| IUPAC Name | (2E,4R)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)pent-2-enamide |
| Formula | C24H23ClFN5O2 |
| Mass | 467.923 |
| Exact Mass | 467.1524309 |
| Composition | C (61.6%), H (4.95%), Cl (7.58%), F (4.06%), N (14.97%), O (6.84%) |
| Atom Count | 56 |
| PI | 10.82 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/[C@H](N(C)C)C)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C24H23ClFN5O2/c1-14(31(2)3)5-8-23(32)30-21-10-17-20(11-22(21)33-4)28-13-15(12-27)24(17)29-16-6-7-
19(26)18(25)9-16/h5-11,13-14H,1-4H3,(H,28,29)(H,30,32)/b8-5+/t14-/m1/s1 |
| InChIKey | LQJFAOUCESCUCC-LHRNQBEKSA-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 |
10928765
|
| Drug Bank Link | - |
| ChemSpider Link | 9104009 |
| ChEMBL Link | CHEMBL113901 |
