| General Property |
| Molceule ID (DB) | EGIN0002447 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 20 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-(2-fluoroethoxy)quinolin-6-yl}-4-(methylamino)but-2-enamide |
| Formula | C23H20ClF2N5O2 |
| Mass | 471.887 |
| Exact Mass | 471.127359 |
| Composition | C (58.54%), H (4.27%), Cl (7.51%), F (8.05%), N (14.84%), O (6.78%) |
| Atom Count | 53 |
| PI | 11.05 |
| Smiles | C(=O)(/C=C/CNC)Nc1cc2c(c(cnc2cc1OCCF)C#N)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C23H20ClF2N5O2/c1-28-7-2-3-22(32)31-20-10-16-19(11-21(20)33-8-6-25)29-13-14(12-27)23(16)30-15-4-5
-18(26)17(24)9-15/h2-5,9-11,13,28H,6-8H2,1H3,(H,29,30)(H,31,32)/b3-2+ |
| InChIKey | BKVGIHTVFOZUEA-NSCUHMNNSA-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 |
52946868
|
| Drug Bank Link | - |
| ChemSpider Link | 26351885 |
| ChEMBL Link | CHEMBL1243284 |
