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Ligand

NameN-(3-chloro-2-methylphenyl)azepane-1-carbothioamide
Molecular formulaC14H19ClN2S
IUPAC nameN-(3-chloro-2-methylphenyl)azepane-1-carbothioamide
Molecular weight282.83
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.9
SynonymsMLS001230160
azaperhydroepinyl[(3-chloro-2-methylphenyl)amino]methane-1-thione
SMR000678524
HMS2982B17
ZINC7557132
[ Show all ]
Inchi KeyACDZWXXUBFFJME-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19ClN2S/c1-11-12(15)7-6-8-13(11)16-14(18)17-9-4-2-3-5-10-17/h6-8H,2-5,9-10H2,1H3,(H,16,18)
PubChem CID8655862
ChEMBLCHEMBL1466414
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1461Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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