Structure

InChI Key PTVWPYVOOKLBCG-UHFFFAOYSA-N
Smiles OCC(O)CN1CCN(c2ccccc2)CC1
InChI
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O2
Molecular Weight 236.32
AlogP 0.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 46.94
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 71.05-96.03

Related Entries

Cross References

Resources Reference
ChEBI 93837
ChEMBL CHEMBL151445
DrugBank DB13785
DrugCentral 967
FDA SRS U0K8WHL37U
PubChem 3169
SureChEMBL SCHEMBL93975