| General Property |
| Molceule ID (DB) | EGIN0000867 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | 4-[(4-bromo-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
| Formula | C18H13BrFN3O2 |
| Mass | 402.217 |
| Exact Mass | 401.0175175 |
| Composition | C (53.75%), H (3.26%), Br (19.87%), F (4.72%), N (10.45%), O (7.96%) |
| Atom Count | 38 |
| PI | 9.6 |
| Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1c(cc(cc1)Br)F)C#N |
| InChI | 1S/C18H13BrFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H
,1-2H3,(H,22,23) |
| InChIKey | ZGDAFEZSQVKBGC-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 |
5328862
|
| Drug Bank Link | - |
| ChemSpider Link | 4486024 |
| ChEMBL Link | CHEMBL109844 |
