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Ligand

NameMLS000073232
Molecular formulaC18H25N3O3S
IUPAC name1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Molecular weight363.476
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
Synonyms1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone
HMS2335F03
ASN 05987933
SR-01000338982
1-(2,5-dimethoxyphenyl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone
[ Show all ]
Inchi KeyAENUORICOLJQPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25N3O3S/c1-6-9-21-17(12(2)3)19-20-18(21)25-11-15(22)14-10-13(23-4)7-8-16(14)24-5/h7-8,10,12H,6,9,11H2,1-5H3
PubChem CID654177
ChEMBLCHEMBL1603183
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3664Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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