| General Property |
| Molceule ID (DB) | EGIN0000856 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
| Formula | C18H13ClFN3O2 |
| Mass | 357.766 |
| Exact Mass | 357.0680326 |
| Composition | C (60.43%), H (3.66%), Cl (9.91%), F (5.31%), N (11.75%), O (8.94%) |
| Atom Count | 38 |
| PI | 10.82 |
| Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-11-3-4-14(20)13(19)5-11/h3-7,9H
,1-2H3,(H,22,23) |
| InChIKey | LNWSYCUKHBLOIW-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 | 11814812 | |
| 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 |
5328851
|
| Drug Bank Link | - |
| ChemSpider Link | 4486013 |
| ChEMBL Link | CHEMBL109372 |
