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Ligand

NameSMR000068630
Molecular formulaC20H17ClN4O2S
IUPAC name2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
Molecular weight412.892
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
SynonymsMLS000057711
MLS002633877
AC1M9Z10
CHEMBL1412804
MolPort-004-082-765
[ Show all ]
Inchi KeyAHTSXPJTVBZNTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN4O2S/c1-25-18(12-26-16-9-7-15(21)8-10-16)23-24-20(25)28-13-19-22-11-17(27-19)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
PubChem CID2567776
ChEMBLCHEMBL1412804
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5873Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
5874Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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