(R,E)-7-METHOXY-1-(PIPERIDIN-1-YL)TETRADEC-4-EN-1-ONE

/static/temp/default.svg Search structure
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 SHEHGPREIYXOHF-QPGLYAHGSA-N
Smiles CCCCCCC[C@H](C\C=C\CCC(=O)N1CCCCC1)OC
InChI
InChI=1S/C20H37NO2/c1-3-4-5-6-9-14-19(23-2)15-10-7-11-16-20(22)21-17-12-8-13-18-21/h7,10,19H,3-6,8-9,11-18H2,1-2H3/b10-7+/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H37NO2
Molecular Weight 323.51
AlogP 4.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 118000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2298960
PubChem 76335077
CONTENTS