Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000465
Inhibitor ClassBenzoic nitrogen mustard derivative
Molecule Name in Refrence Article5s compound
IUPAC NameN-benzyl-4-[bis(2-chloroethyl)amino]benzamide
FormulaC18H20Cl2N2O
Mass351.27
Exact Mass350.0952687
Composition C (61.55%), H (5.74%), Cl (20.19%), N (7.97%), O (4.55%)
Atom Count43
PI8.05
Smilesc1cc(ccc1N(CCCl)CCCl)C(=O)NCc1ccccc1
InChI1S/C18H20Cl2N2O/c19-10-12-22(13-11-20)17-8-6-16(7-9-17)18(23)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,
21,23)
InChIKeySMUJOARBULKATQ-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
Reference20005116
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 24645650
ChEMBL Link CHEMBL589847
 
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