| General Property |
| Molceule ID (DB) | EGIN0003943 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine |
| Formula | C22H25ClFN5O2 |
| Mass | 445.918 |
| Exact Mass | 445.168081 |
| Composition | C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%) |
| Atom Count | 56 |
| PI | 10.89 |
| Smiles | c12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCN1CCN(CC1)C |
| InChI | 1S/C22H25ClFN5O2/c1-28-5-7-29(8-6-28)9-10-31-21-13-19-16(12-20(21)30-2)22(26-14-25-19)27-18-4-3-15(2
3)11-17(18)24/h3-4,11-14H,5-10H2,1-2H3,(H,25,26,27) |
| InChIKey | GSFNVLNOUTVLFC-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 | 11881999 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | KDR | Flt1 | FGFR | ALL |
| Pub Chem Link |
4913175
|
| Drug Bank Link | - |
| ChemSpider Link | 4095332 |
| ChEMBL Link | CHEMBL283088 |
