N,N-DIETHYLSTEARAMIDE

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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 QPDIFNAJIOOAQI-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)N(CC)CC
InChI
InChI=1S/C22H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h4-21H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H45NO
Molecular Weight 339.6
AlogP 7.79
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 18.45

Cross References

Resources Reference
ChEMBL CHEMBL2238333
PubChem 575487
SureChEMBL SCHEMBL738376
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