Synonyms
Status
Molecule Category Free-form
ATC N06AX09
UNII 5I5Y2789ZF
EPA CompTox DTXSID6057900

Structure

InChI Key YWPHCCPCQOJSGZ-UHFFFAOYSA-N
Smiles CCOc1ccccc1OCC1CNCCO1
InChI
InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO3
Molecular Weight 237.3
AlogP 1.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Sus scrofa
- 220 - - -

Related Entries

Cross References

Resources Reference
ChEBI 94405
ChEMBL CHEMBL306700
DrugBank DB09185
DrugCentral 2820
FDA SRS 5I5Y2789ZF
PubChem 5666
SureChEMBL SCHEMBL34168