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Ligand

NameSMR000095425
Molecular formulaC19H21N3O5S2
IUPAC name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
Molecular weight435.513
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.5
SynonymsMLS000118484
AC1NSBZC
MLS002587739
CHEMBL1483223
HMS2255H14
[ Show all ]
Inchi KeyAFFBOOQKRVZPRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3O5S2/c1-21-16-7-6-15(10-17(16)27-19(21)24)29(25,26)22-8-2-4-13(12-22)18(23)20-11-14-5-3-9-28-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,23)
PubChem CID5307170
ChEMBLCHEMBL1483223
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
4115Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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