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Ligand

NameSMR000155400
Molecular formulaC22H16ClN3O3S2
IUPAC name2-[[4-(3-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
Molecular weight469.958
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsMLS000536079
MLS002635906
AC1M653M
CHEMBL1481330
MolPort-005-898-382
[ Show all ]
Inchi KeyAADPSPMQYLGCHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16ClN3O3S2/c23-14-4-1-5-15(12-14)26-21(19-8-3-11-30-19)24-25-22(26)31-13-17(27)16-6-2-7-18-20(16)29-10-9-28-18/h1-8,11-12H,9-10,13H2
PubChem CID2342022
ChEMBLCHEMBL1481330
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
114Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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