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Ligand

NameSMR000193353
Molecular formulaC21H18N2O2S
IUPAC name[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Molecular weight362.447
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsAC1MFHTX
F0742-0065
SR-01000422717
[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone
BDBM57463
[ Show all ]
Inchi KeyADTLBIFDNHMORY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N2O2S/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
PubChem CID2871937
ChEMBLCHEMBL1359037
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
3070Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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