(E)-N-(2-BROMOPHENYL)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 FZGNQEIHILPJBW-ZHACJKMWSA-N
Smiles Brc1ccccc1NC(=O)\C=C\c2ccccc2
InChI
InChI=1S/C15H12BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12BrNO
Molecular Weight 302.17
AlogP 3.83
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
- 15740 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4050-15740 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2283257
PubChem 764334
SureChEMBL SCHEMBL729590
ZINC ZINC00239033
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