Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000171
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article10 compound
IUPAC NameN-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]benzamide
FormulaC22H16ClN3O
Mass373.835
Exact Mass373.0981899
Composition C (70.68%), H (4.31%), Cl (9.48%), N (11.24%), O (4.28%)
Atom Count43
PI5.48
Smilesn1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)NC(=O)c1ccccc1
InChI1S/C22H16ClN3O/c1-14-7-9-15(10-8-14)20-24-19-12-11-17(23)13-18(19)21(25-20)26-22(27)16-5-3-2-4-6-16/
h2-13H,1H3,(H,24,25,26,27)
InChIKeyJVEZTNDLQKDBNC-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
Reference20599299
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 -
Drug Bank Link -
ChemSpider Link 26352139
ChEMBL Link CHEMBL1242085
 
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