Structure

InChI Key KJUHIXIWKSVBKB-UHFFFAOYSA-N
Smile Cc1ccccc1-n1c(C)nc2ccccc2c1=O.Cl
InChI
InChI=1S/C16H14N2O.ClH/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-10H,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15ClN2O
Molecular Weight 286.76
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 34.89
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106829
FDA SRS RJQ4G25ZRH
PubChem 63196
SureChEMBL SCHEMBL3500629