Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003943
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
FormulaC22H25ClFN5O2
Mass445.918
Exact Mass445.168081
Composition C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%)
Atom Count56
PI10.89
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCN1CCN(CC1)C
InChI1S/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)
InChIKeyGSFNVLNOUTVLFC-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference11881999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR | Flt1 | FGFR | ALL
Pub Chem Link 4913175
Drug Bank Link -
ChemSpider Link 4095332
ChEMBL Link CHEMBL283088
 
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