(E)-N-(2-ETHOXYPHENYL)CINNAMAMIDE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZUGIHGCVLHPREZ-OUKQBFOZSA-N
Smiles CCOc1ccccc1NC(=O)\C=C\c2ccccc2
InChI
InChI=1S/C17H17NO2/c1-2-20-16-11-7-6-10-15(16)18-17(19)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,18,19)/b13-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17NO2
Molecular Weight 267.32
AlogP 3.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 9350 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2430-9350 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2283248
PubChem 1637668
ZINC ZINC01903859
CONTENTS