| General Property |
| Molceule ID (DB) | EGIN0004858 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine |
| Formula | C16H13ClFN3O2 |
| Mass | 333.745 |
| Exact Mass | 333.0680326 |
| Composition | C (57.58%), H (3.93%), Cl (10.62%), F (5.69%), N (12.59%), O (9.59%) |
| Atom Count | 36 |
| PI | 10.36 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC |
| InChI | 1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H
,19,20,21) |
| InChIKey | VOPNWXZDJKCCRE-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 | 22867529 | 11459659 | |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4486171 |
| ChEMBL Link | CHEMBL301018 |
