General Property |
Molceule ID (DB) | EGIN0003963 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 27 compound |
IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine |
Formula | C23H26BrFN4O2 |
Mass | 489.381 |
Exact Mass | 488.1223169 |
Composition | C (56.45%), H (5.36%), Br (16.33%), F (3.88%), N (11.45%), O (6.54%) |
Atom Count | 57 |
PI | 11.52 |
Smiles | c12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OCCC1CCN(CC1)C |
InChI | 1S/C23H26BrFN4O2/c1-29-8-5-15(6-9-29)7-10-31-22-13-20-17(12-21(22)30-2)23(27-14-26-20)28-19-4-3-16(2
4)11-18(19)25/h3-4,11-15H,5-10H2,1-2H3,(H,26,27,28) |
InChIKey | OORQGKRPXSYBAR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003963.png) | Structure Backbone | ![](./frame/f_EGIN0003963.png) |
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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 | Flt1 | FGFR | KDR | ALL |
Pub Chem Link |
5329053
|
Drug Bank Link | - |
ChemSpider Link | 4486215 |
ChEMBL Link | CHEMBL24979 |