| General Property |
| Molceule ID (DB) | EGIN0000873 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | 4-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile |
| Formula | C19H13F4N3O2 |
| Mass | 391.319 |
| Exact Mass | 391.0943895 |
| Composition | C (58.32%), H (3.35%), F (19.42%), N (10.74%), O (8.18%) |
| Atom Count | 41 |
| PI | 10.82 |
| Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(c(c1)C(F)(F)F)F)C#N |
| InChI | 1S/C19H13F4N3O2/c1-27-16-6-12-15(7-17(16)28-2)25-9-10(8-24)18(12)26-11-3-4-14(20)13(5-11)19(21,22)23
/h3-7,9H,1-2H3,(H,25,26) |
| InChIKey | JOFXBKKTSVGEOP-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 |
5328868
|
| Drug Bank Link | - |
| ChemSpider Link | 4486030 |
| ChEMBL Link | CHEMBL111688 |
