| General Property |
| Molceule ID (DB) | EGIN0003956 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
| Formula | C22H23BrF2N4O2 |
| Mass | 493.344 |
| Exact Mass | 492.0972451 |
| Composition | C (53.56%), H (4.7%), Br (16.2%), F (7.7%), N (11.36%), O (6.49%) |
| Atom Count | 54 |
| PI | 10.26 |
| Smiles | c12c(Nc3c(cc(cc3F)Br)F)ncnc1cc(c(c2)OC)OCC1CCN(CC1)C |
| InChI | 1S/C22H23BrF2N4O2/c1-29-5-3-13(4-6-29)11-31-20-10-18-15(9-19(20)30-2)22(27-12-26-18)28-21-16(24)7-14
(23)8-17(21)25/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27,28) |
| InChIKey | KIWKXIDEBINNAK-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 | FGFR | Flt1 | ALL |
| Pub Chem Link |
5329046
|
| Drug Bank Link | - |
| ChemSpider Link | 4486208 |
| ChEMBL Link | CHEMBL416191 |
