Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002607
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article5 compound
IUPAC NameN-benzyl-4-[4-tert-butyl-2-(methoxymethoxy)phenyl]benzamide
FormulaC26H29NO3
Mass403.5134
Exact Mass403.2147438
Composition C (77.39%), H (7.24%), N (3.47%), O (11.9%)
Atom Count59
PI6.85
SmilesCOCOc1c(ccc(c1)C(C)(C)C)c1ccc(cc1)C(=O)NCc1ccccc1
InChI1S/C26H29NO3/c1-26(2,3)22-14-15-23(24(16-22)30-18-29-4)20-10-12-21(13-11-20)25(28)27-17-19-8-6-5-7-9
-19/h5-16H,17-18H2,1-4H3,(H,27,28)
InChIKeyUHKNPVYNTQTWBT-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
Reference7473597
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 10549169
Drug Bank Link -
ChemSpider Link 8724560
ChEMBL Link CHEMBL142499
 
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