General Property |
Molceule ID (DB) | EGIN0003943 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine |
Formula | C22H25ClFN5O2 |
Mass | 445.918 |
Exact Mass | 445.168081 |
Composition | C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%) |
Atom Count | 56 |
PI | 10.89 |
Smiles | c12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCN1CCN(CC1)C |
InChI | 1S/C22H25ClFN5O2/c1-28-5-7-29(8-6-28)9-10-31-21-13-19-16(12-20(21)30-2)22(26-14-25-19)27-18-4-3-15(2
3)11-17(18)24/h3-4,11-14H,5-10H2,1-2H3,(H,25,26,27) |
InChIKey | GSFNVLNOUTVLFC-UHFFFAOYSA-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 |
4913175
|
Drug Bank Link | - |
ChemSpider Link | 4095332 |
ChEMBL Link | CHEMBL283088 |