General Property |
Molceule ID (DB) | EGIN0003966 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-{[(3R)-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-/m1/s1 |
InChIKey | JFGLOXKNWPNMQT-CQSZACIVSA-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 |
5329056
|
Drug Bank Link | - |
ChemSpider Link | 4486218 |
ChEMBL Link | CHEMBL26931 |