Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003940
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
FormulaC18H17ClFN3O3
Mass377.797
Exact Mass377.0942473
Composition C (57.22%), H (4.54%), Cl (9.38%), F (5.03%), N (11.12%), O (12.7%)
Atom Count43
PI9.08
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCOC
InChI1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4
,7-10H,5-6H2,1-2H3,(H,21,22,23)
InChIKeySWIHGAFGYUTAOY-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 enzymesFGFR | Flt1 | KDR | ALL
Pub Chem Link 5329011
Drug Bank Link -
ChemSpider Link 4486173
ChEMBL Link CHEMBL286160
 
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