Structure

InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N
Smile Clc1ccccc1CN1CCc2sccc2C1
InChI
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14ClNS
Molecular Weight 263.79
AlogP 3.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carotid Stenosis 3 D016893 ClinicalTrials
Peripheral Arterial Disease 3 D058729 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 55142-85-3
ChEBI 9588
ChEMBL CHEMBL833
DrugBank DB00208
DrugCentral 2657
EPA CompTox DTXSID5023669
FDA SRS OM90ZUW7M1
Human Metabolome Database HMDB0014353
Guide to Pharmacology 7307
KEGG C07140
PDB TIC
PharmGKB PA451686
PubChem 5472
SureChEMBL SCHEMBL4204
ZINC ZINC000019594599