Structure

InChI Key HXYVTAGFYLMHSO-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37NO2
Molecular Weight 299.5
AlogP 4.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 49.33
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 6.25
Plasmodium falciparum
- 501.19 - - -
Rattus norvegicus
- - - - 62-100

Related Entries

Cross References

Resources Reference
CAS NUMBER 544-31-0
ChEBI 71464
ChEMBL CHEMBL417675
DrugBank DB14043
DrugCentral 2045
FDA SRS 6R8T1UDM3V
Human Metabolome Database HMDB0002100
Guide to Pharmacology 3622
KEGG C16512
PubChem 4671
SureChEMBL SCHEMBL19511663
ZINC ZINC000008035017