| General Property |
| Molceule ID (DB) | EGIN0004708 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-{2-[(propan-2-yl)amino]ethoxy}quinazolin-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 | 12.87 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCNC(C)C |
| InChI | 1S/C20H22ClFN4O2/c1-12(2)23-6-7-28-19-9-14-17(10-18(19)27-3)24-11-25-20(14)26-13-4-5-16(22)15(21)8-1
3/h4-5,8-12,23H,6-7H2,1-3H3,(H,24,25,26) |
| InChIKey | SXOWTHDMELDFHL-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 |
44300029
|
| Drug Bank Link | - |
| ChemSpider Link | 23150495 |
| ChEMBL Link | CHEMBL55794 |
