Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004059
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC NameN-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
FormulaC17H16FN3O2
Mass313.3262
Exact Mass313.122655
Composition C (65.17%), H (5.15%), F (6.06%), N (13.41%), O (10.21%)
Atom Count39
PI12.32
Smilesc1(c(cc2c(c1)c(ncn2)NCc1ccc(cc1)F)OC)OC
InChI1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-
2H3,(H,19,20,21)
InChIKeyLASSDHMCHFNZJI-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
Reference16279804
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 1474879
Drug Bank Link -
ChemSpider Link 1216705
ChEMBL Link CHEMBL374810
 
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