Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002629
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article33 compound
IUPAC Name3-tert-butyl-5-[4-(hydroxymethyl)phenyl]phenol
FormulaC17H20O2
Mass256.3395
Exact Mass256.1463299
Composition C (79.65%), H (7.86%), O (12.48%)
Atom Count39
PI3.53
SmilesCC(C)(C)c1cc(cc(O)c1)c1ccc(CO)cc1
InChI1S/C17H20O2/c1-17(2,3)15-8-14(9-16(19)10-15)13-6-4-12(11-18)5-7-13/h4-10,18-19H,11H2,1-3H3
InChIKeyWCOZUSLDAIANBD-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 10611103
Drug Bank Link -
ChemSpider Link 8786469
ChEMBL Link CHEMBL347786
 
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