| General Property |
| Molceule ID (DB) | EGIN0002442 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 6 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(methylamino)but-2-enamide |
| Formula | C23H21ClFN5O2 |
| Mass | 453.897 |
| Exact Mass | 453.1367809 |
| Composition | C (60.86%), H (4.66%), Cl (7.81%), F (4.19%), N (15.43%), O (7.05%) |
| Atom Count | 53 |
| PI | 11.06 |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)OCC)NC(=O)/C=C/CNC |
| InChI | 1S/C23H21ClFN5O2/c1-3-32-21-11-19-16(10-20(21)30-22(31)5-4-8-27-2)23(14(12-26)13-28-19)29-15-6-7-18(
25)17(24)9-15/h4-7,9-11,13,27H,3,8H2,1-2H3,(H,28,29)(H,30,31)/b5-4+ |
| InChIKey | WOFSPKZUAHWIEK-SNAWJCMRSA-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 |
15603105
|
| Drug Bank Link | - |
| ChemSpider Link | 13078586 |
| ChEMBL Link | CHEMBL1243255 |
