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 | |
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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 | KDR | FGFR | Flt1 | ALL |
Pub Chem Link |
5329046
|
Drug Bank Link | - |
ChemSpider Link | 4486208 |
ChEMBL Link | CHEMBL416191 |