Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001191
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]-7-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}quinazolin-6-yl}prop-2-enamide
FormulaC24H26ClFN4O5
Mass504.938
Exact Mass504.1575759
Composition C (57.09%), H (5.19%), Cl (7.02%), F (3.76%), N (11.1%), O (15.84%)
Atom Count61
PI8.48
SmilesCOCCOCCOCCOc1c(NC(=O)C=C)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1
InChI1S/C24H26ClFN4O5/c1-3-23(31)30-21-13-17-20(14-22(21)35-11-10-34-9-8-33-7-6-32-2)27-15-28-24(17)29-16
-4-5-19(26)18(25)12-16/h3-5,12-15H,1,6-11H2,2H3,(H,30,31)(H,27,28,29)
InChIKeyUDULKYLJVMTWGE-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
Reference10956451
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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