Synonyms
Status
Molecule Category Free-form
UNII 9T210MMZ3F

Structure

InChI Key BOTHKNZTGGXFEQ-UHFFFAOYSA-N
Smiles CN(C)CC1CCOC1(c1ccccc1)c1ccccc1
InChI
InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO
Molecular Weight 281.4
AlogP 3.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- 860 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 860 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297224
DrugBank DB05592
FDA SRS 9T210MMZ3F
SureChEMBL SCHEMBL181634