General Property |
Molceule ID (DB) | EGIN0003954 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | 4-fluoro-5-({6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl}amino)-2-methylphenol |
Formula | C23H27FN4O3 |
Mass | 426.4839 |
Exact Mass | 426.206719 |
Composition | C (64.77%), H (6.38%), F (4.45%), N (13.14%), O (11.25%) |
Atom Count | 58 |
PI | 9.34 |
Smiles | c12c(Nc3cc(c(cc3F)C)O)ncnc1cc(c(c2)OC)OCC1CCN(CC1)C |
InChI | 1S/C23H27FN4O3/c1-14-8-17(24)19(10-20(14)29)27-23-16-9-21(30-3)22(11-18(16)25-13-26-23)31-12-15-4-6-
28(2)7-5-15/h8-11,13,15,29H,4-7,12H2,1-3H3,(H,25,26,27) |
InChIKey | SIABKVPDKZOJCK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003954.png) | Structure Backbone | ![](./frame/f_EGIN0003954.png) |
|
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 | FGFR | Flt1 | KDR | ALL |
Pub Chem Link |
5329044
|
Drug Bank Link | - |
ChemSpider Link | 4486206 |
ChEMBL Link | CHEMBL24625 |