Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000618
Inhibitor ClassBenzamide
Molecule Name in Refrence Article1f compound
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)-4,5-dimethoxybenzamide
FormulaC15H14ClFN2O3
Mass324.735
Exact Mass324.0676982
Composition C (55.48%), H (4.35%), Cl (10.92%), F (5.85%), N (8.63%), O (14.78%)
Atom Count36
PI6.77
Smilesc1(c(cc(c(c1)OC)OC)N)C(=O)Nc1ccc(c(c1)Cl)F
InChI1S/C15H14ClFN2O3/c1-21-13-6-9(12(18)7-14(13)22-2)15(20)19-8-3-4-11(17)10(16)5-8/h3-7H,18H2,1-2H3,(H,
19,20)
InChIKeySSXAUNTZTINAHI-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
Reference15186837
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 23165607
ChEMBL Link CHEMBL74712
 
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