N-DODECYLCINNAMAMIDE

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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 VPKCYQSDPRKOHT-ISLYRVAYSA-N
Smiles CCCCCCCCCCCCNC(=O)\C=C\c1ccccc1
InChI
InChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-14-19-22-21(23)18-17-20-15-12-11-13-16-20/h11-13,15-18H,2-10,14,19H2,1H3,(H,22,23)/b18-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33NO
Molecular Weight 315.49
AlogP 6.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 38460 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 13400-38460 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2283258
PubChem 5371842
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