Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004463
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article5g compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[(3-chlorophenyl)methyl]quinazoline-4,6-diamine
FormulaC21H16BrClN4
Mass439.736
Exact Mass438.0246869
Composition C (57.36%), H (3.67%), Br (18.17%), Cl (8.06%), N (12.74%)
Atom Count43
PI10.52
Smilesn1cnc(c2c1ccc(c2)NCc1cc(ccc1)Cl)Nc1cc(ccc1)Br
InChI1S/C21H16BrClN4/c22-15-4-2-6-18(10-15)27-21-19-11-17(7-8-20(19)25-13-26-21)24-12-14-3-1-5-16(23)9-14
/h1-11,13,24H,12H2,(H,25,26,27)
InChIKeyAFQZHRYPJDBDFI-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
Reference22112541
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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