Structure

InChI Key YELGFTGWJGBAQU-UHFFFAOYSA-N
Smiles CNC(C)C(=O)c1ccc(C)cc1
InChI
InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO
Molecular Weight 177.25
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
49.1-118 - - - -

Related Entries

Cross References

Resources Reference
CAS NUMBER 1189805-46-6
ChEBI 59331
ChEMBL CHEMBL4094396
DrugBank DB13108
FDA SRS 8BA8T27317
Human Metabolome Database HMDB0041923
PubChem 45266826
SureChEMBL SCHEMBL727913