N,N-BIS(2-HYDROXYETHYL)PALMITAMIDE

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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 VJESJEJNMGVQLZ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41NO3
Molecular Weight 343.54
AlogP 5.1
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 60.77
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 26.34

Cross References

Resources Reference
ChEMBL CHEMBL2238330
PubChem 82046
SureChEMBL SCHEMBL284784
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