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Ligand

NameN-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazole-4-carboxamide
Molecular formulaC22H19F6N3OS
IUPAC nameN-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazole-4-carboxamide
Molecular weight487.464
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.9
Synonyms321553-25-7
3F-315S
AC1MXASN
AKOS005087543
CHEMBL1420206
[ Show all ]
Inchi KeyAEYJCFPXVJRTGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19F6N3OS/c1-12-7-8-16(9-13(12)2)29-19(32)17-18(22(26,27)28)30-31(3)20(17)33-11-14-5-4-6-15(10-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,29,32)
PubChem CID3812674
ChEMBLCHEMBL1420206
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
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GLASS IDNameUniProtGeneSpeciesLength
3956Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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