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Ligand

NameMLS000687987
Molecular formulaC21H25NO5S
IUPAC name2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
Molecular weight403.493
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsSMR000284595
2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
BAS 00717197
AC1MET3T
Opera_ID_1167
[ Show all ]
Inchi KeyAFIMSVCXJLTPAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO5S/c1-24-16-7-5-14(11-18(16)26-3)9-10-22-20(23)13-28-21(22)15-6-8-17(25-2)19(12-15)27-4/h5-8,11-12,21H,9-10,13H2,1-4H3
PubChem CID2860695
ChEMBLCHEMBL1373944
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
463398Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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