Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004763
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
FormulaC17H14N4O2
Mass306.3187
Exact Mass306.1116757
Composition C (66.66%), H (4.61%), N (18.29%), O (10.45%)
Atom Count37
PI10.2
SmilesCOc1c(OC)cc2c(Nc3cccc(c3)C#N)ncnc2c1
InChI1S/C17H14N4O2/c1-22-15-7-13-14(8-16(15)23-2)19-10-20-17(13)21-12-5-3-4-11(6-12)9-18/h3-8,10H,1-2H3,(
H,19,20,21)
InChIKeyDTUCHVRTWHBOKV-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
Reference22867529
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 11312797
Drug Bank Link -
ChemSpider Link 9487764
ChEMBL Link -
 
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