| General Property |
| Molceule ID (DB) | EGIN0000594 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-(2-methoxyethoxy)-5-(oxan-4-yloxy)quinazolin-4-amine |
| Formula | C22H23ClFN3O4 |
| Mass | 447.887 |
| Exact Mass | 447.1361122 |
| Composition | C (59%), H (5.18%), Cl (7.92%), F (4.24%), N (9.38%), O (14.29%) |
| Atom Count | 54 |
| PI | 10.02 |
| Smiles | c12c(cc(cc1OC1CCOCC1)OCCOC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C22H23ClFN3O4/c1-28-8-9-30-16-11-19-21(20(12-16)31-15-4-6-29-7-5-15)22(26-13-25-19)27-14-2-3-18(2
4)17(23)10-14/h2-3,10-13,15H,4-9H2,1H3,(H,25,26,27) |
| InChIKey | ZJHGIJPRXGNXSH-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 | 16380259 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23267866 |
| ChEMBL Link | CHEMBL382041 |
