| General Property |
| Molceule ID (DB) | EGIN0000844 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile |
| Formula | C20H17ClFN3O2 |
| Mass | 385.819 |
| Exact Mass | 385.0993327 |
| Composition | C (62.26%), H (4.44%), Cl (9.19%), F (4.92%), N (10.89%), O (8.29%) |
| Atom Count | 44 |
| PI | 10.81 |
| Smiles | c12c(cc(c(c1)OCC)OCC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C20H17ClFN3O2/c1-3-26-18-8-14-17(9-19(18)27-4-2)24-11-12(10-23)20(14)25-13-5-6-16(22)15(21)7-13/h
5-9,11H,3-4H2,1-2H3,(H,24,25) |
| InChIKey | VJTVBWNBERHDKM-UHFFFAOYSA-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 | 10966743 |
| 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 |
5328839
|
| Drug Bank Link | - |
| ChemSpider Link | 4486001 |
| ChEMBL Link | CHEMBL324045 |
