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Ligand

NameSMR000008223
Molecular formulaC20H25N7O2
IUPAC name[4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight395.467
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.3
Synonyms{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
AC1LCKGJ
MLS000030071
MLS002539217
CHEMBL1325821
[ Show all ]
Inchi KeyAEWVPOPVNZLRML-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N7O2/c1-20(2,3)27-18(22-23-24-27)17(15-6-4-8-21-14-15)25-9-11-26(12-10-25)19(28)16-7-5-13-29-16/h4-8,13-14,17H,9-12H2,1-3H3
PubChem CID651632
ChEMBLCHEMBL1325821
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
3922Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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