| General Property |
| Molceule ID (DB) | EGIN0004678 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 27 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine |
| Formula | C20H22ClFN4O2 |
| Mass | 404.866 |
| Exact Mass | 404.1415319 |
| Composition | C (59.33%), H (5.48%), Cl (8.76%), F (4.69%), N (13.84%), O (7.9%) |
| Atom Count | 50 |
| PI | 12.67 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN(C)C |
| InChI | 1S/C20H22ClFN4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-13-5-6-16(22)15(21)9-1
3/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25) |
| InChIKey | BQTOLZHBHCEHJX-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 | 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 |
19077498
|
| Drug Bank Link | - |
| ChemSpider Link | 13940729 |
| ChEMBL Link | CHEMBL57990 |
