| General Property |
| Molceule ID (DB) | EGIN0004057 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxyquinazolin-4-amine |
| Formula | C17H13F4N3O2 |
| Mass | 367.2976 |
| Exact Mass | 367.0943895 |
| Composition | C (55.59%), H (3.57%), F (20.69%), N (11.44%), O (8.71%) |
| Atom Count | 39 |
| PI | 9.93 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(cc(c1)C(F)(F)F)F)OC)OC |
| InChI | 1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H
,1-2H3,(H,22,23,24) |
| InChIKey | OADSFSCZBUDKTO-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 |
11538667
|
| Drug Bank Link | - |
| ChemSpider Link | 9713447 |
| ChEMBL Link | CHEMBL223116 |
