| General Property |
| Molceule ID (DB) | EGIN0003967 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-{[(3S)-1-methylpiperidin-3-yl]methoxy}quinazolin-4-amine |
| Formula | C22H24BrFN4O2 |
| Mass | 475.354 |
| Exact Mass | 474.1066669 |
| Composition | C (55.59%), H (5.09%), Br (16.81%), F (4%), N (11.79%), O (6.73%) |
| Atom Count | 54 |
| PI | 11.28 |
| Smiles | c12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OC[C@@H]1CN(CCC1)C |
| InChI | 1S/C22H24BrFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)
8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/m0/s1 |
| InChIKey | JFGLOXKNWPNMQT-AWEZNQCLSA-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 |
5329056
|
| Drug Bank Link | - |
| ChemSpider Link | 4486219 |
| ChEMBL Link | CHEMBL26931 |
