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Ligand

NameMLS000418503
Molecular formulaC21H13N3OS
IUPAC name2-[1-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Molecular weight355.415
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsSMR000265051
2-[1-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
AC1O0OTC
CHEMBL1403085
BDBM65196
[ Show all ]
Inchi KeyACPFNRHMOAPTCY-UYRXBGFRSA-N
Inchi IDInChI=1S/C21H13N3OS/c22-14-17(15-23)18-9-4-5-11-24(18)19(13-16-7-2-1-3-8-16)21(25)20-10-6-12-26-20/h1-13H/b19-13-
PubChem CID5997787
ChEMBLCHEMBL1403085
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
1762Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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