Structure

InChI Key WYCLKVQLVUQKNZ-UHFFFAOYSA-N
Smile O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F
InChI
InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12ClF3N2O
Molecular Weight 352.74
AlogP 4.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 23092-17-3
ChEBI 5603
ChEMBL CHEMBL970
DrugBank DB00801
DrugCentral 1348
EPA CompTox DTXSID5023118
FDA SRS 320YC168LF
Human Metabolome Database HMDB0014939
Guide to Pharmacology 7195
KEGG D00338
PharmGKB PA164746526
PubChem 31640
SureChEMBL SCHEMBL78995
ZINC ZINC000000537811