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Ligand

NameCHEMBL419939
Molecular formulaC12H15NO2
IUPAC nameN-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl]acetamide
Molecular weight205.257
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP0.6
SynonymsSCHEMBL9427172
BDBM50072650
N-(4-Methoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethyl)-acetamide
Inchi KeyQOQKAIZKMYEETA-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H15NO2/c1-8(14)13-7-10-5-9-3-4-11(15-2)6-12(9)10/h3-4,6,10H,5,7H2,1-2H3,(H,13,14)
PubChem CID19092208
ChEMBLCHEMBL419939
IUPHARN/A
BindingDB50072650
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
283255Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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