N-(3-CHLOROPHENYL)CINNAMAMIDE

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Synonyms
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 ZUKRPXSFAZWKHZ-MDZDMXLPSA-N
Smiles Clc1cccc(NC(=O)\C=C\c2ccccc2)c1
InChI
InChI=1S/C15H12ClNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)/b10-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12ClNO
Molecular Weight 257.71
AlogP 3.75
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 14590 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4370-14590 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1830131
PubChem 677915
SureChEMBL SCHEMBL15176818
ZINC ZINC00041732
CONTENTS