Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004811
Inhibitor ClassIndole
Molecule Name in Refrence Article9
IUPAC Name(2E)-2-[(S)-hydroxy(phenyl)methyl]-3-(1H-indol-3-yl)prop-2-enenitrile
FormulaC18H14N2O
Mass274.3166
Exact Mass274.1106131
Composition C (78.81%), H (5.14%), N (10.21%), O (5.83%)
Atom Count35
PI4.85
Smilesc1cccc2c1c(c[nH]2)/C=C(/[C@@H](O)c1ccccc1)C#N
InChI1S/C18H14N2O/c19-11-14(18(21)13-6-2-1-3-7-13)10-15-12-20-17-9-5-4-8-16(15)17/h1-10,12,18,20-21H/b14-
10+/t18-/m0/s1
InChIKeyPNXHNAAIRJMAHG-MDNBWPLSSA-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
Reference8667360
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR |
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