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Ligand

NameAC1NHO97
Molecular formulaC20H27N5O3S2
IUPAC name2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
Molecular weight449.588
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.1
SynonymsMLS002162767
CHEMBL1474727
MolPort-004-094-939
ZINC9508616
AKOS033908663
[ Show all ]
Inchi KeyAAHRVZWFTKGHEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27N5O3S2/c1-14-6-9-16(12-17(14)30(27,28)25-10-4-3-5-11-25)21-18(26)13-29-20-23-22-19(24(20)2)15-7-8-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)
PubChem CID4793149
ChEMBLCHEMBL1474727
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
462990Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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