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Ligand

NameSMR000002891
Molecular formulaC22H25FN4O2S
IUPAC nameN-benzyl-N-tert-butyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Molecular weight428.526
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsMCULE-1120723268
ZINC905495
ASN 04045833
N-benzyl-N-tert-butyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
HMS1689J09
[ Show all ]
Inchi KeyABUPYAZYDUYJAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN4O2S/c1-22(2,3)27(14-16-7-5-4-6-8-16)20(28)15-30-21-26-25-19(29-21)13-24-18-11-9-17(23)10-12-18/h4-12,24H,13-15H2,1-3H3
PubChem CID655520
ChEMBLCHEMBL1362966
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
1198Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1197Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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