| General Property |
| Molceule ID (DB) | EGIN0004056 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine |
| Formula | C19H17F4N3O2 |
| Mass | 395.3508 |
| Exact Mass | 395.1256896 |
| Composition | C (57.72%), H (4.33%), F (19.22%), N (10.63%), O (8.09%) |
| Atom Count | 45 |
| PI | 9.92 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(cc(c1)C(F)(F)F)F)OCC)OCC |
| InChI | 1S/C19H17F4N3O2/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13
/h5-10H,3-4H2,1-2H3,(H,24,25,26) |
| InChIKey | DGTWQPPUCICJEN-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 | 16279804 |
| 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 |
11618876
|
| Drug Bank Link | - |
| ChemSpider Link | 9793625 |
| ChEMBL Link | CHEMBL223117 |
