Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003078
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6e compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(hex-5-yn-1-yloxy)-7-methoxyquinazolin-4-amine
FormulaC21H19ClFN3O2
Mass399.846
Exact Mass399.1149828
Composition C (63.08%), H (4.79%), Cl (8.87%), F (4.75%), N (10.51%), O (8%)
Atom Count47
PI10.35
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCC#C
InChI1S/C21H19ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-1
4/h1,7-8,10-13H,4-6,9H2,2H3,(H,24,25,26)
InChIKeyOEVCNTKKXWSHFC-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
Reference19969465
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 46229769
Drug Bank Link -
ChemSpider Link 24644712
ChEMBL Link CHEMBL591039
 
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