N-PHENYLCINNAMAMIDE

/static/temp/default.svg Search structure
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 FIIZQHKGJMRJIL-VAWYXSNFSA-N
Smiles O=C(Nc1ccccc1)\C=C\c2ccccc2
InChI
InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13NO
Molecular Weight 223.27
AlogP 3.08
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 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 23160 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 5240-23160 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1830129
PubChem 690158
SureChEMBL SCHEMBL2682029
ZINC ZINC00060228
CONTENTS