| General Property |
| Molceule ID (DB) | EGIN0002444 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 13 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-{[(4-fluorophenyl)methyl](methyl)amino}but-2-enamide |
| Formula | C30H26ClF2N5O2 |
| Mass | 562.01 |
| Exact Mass | 561.1743092 |
| Composition | C (64.11%), H (4.66%), Cl (6.31%), F (6.76%), N (12.46%), O (5.69%) |
| Atom Count | 66 |
| PI | 10.37 |
| Smiles | C(=O)(/C=C/CN(C)Cc1ccc(cc1)F)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C30H26ClF2N5O2/c1-3-40-28-15-26-23(30(20(16-34)17-35-26)36-22-10-11-25(33)24(31)13-22)14-27(28)37
-29(39)5-4-12-38(2)18-19-6-8-21(32)9-7-19/h4-11,13-15,17H,3,12,18H2,1-2H3,(H,35,36)(H,37,39)/b5-4+ |
| InChIKey | KEPKJFBNFMUYMW-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 |
46937467
|
| Drug Bank Link | - |
| ChemSpider Link | 26352716 |
| ChEMBL Link | CHEMBL1243254 |
