| General Property |
| Molceule ID (DB) | EGIN0002446 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 16 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-({[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]methyl}amino)but-2-enamide |
| Formula | C27H25ClF2N8O2 |
| Mass | 566.99 |
| Exact Mass | 566.1757062 |
| Composition | C (57.19%), H (4.44%), Cl (6.25%), F (6.7%), N (19.76%), O (5.64%) |
| Atom Count | 65 |
| PI | 9.94 |
| Smiles | N(Cc1nnn(c1)CCF)C/C=C/C(=O)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C27H25ClF2N8O2/c1-2-40-25-12-23-20(27(17(13-31)14-33-23)34-18-5-6-22(30)21(28)10-18)11-24(25)35-2
6(39)4-3-8-32-15-19-16-38(9-7-29)37-36-19/h3-6,10-12,14,16,32H,2,7-9,15H2,1H3,(H,33,34)(H,35,39)/b4-
3+ |
| InChIKey | PLNCBERXTZFKGL-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 | 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 |
46937464
|
| Drug Bank Link | - |
| ChemSpider Link | 26353026 |
| ChEMBL Link | CHEMBL1243283 |
