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Ligand

NameCHEMBL557583
Molecular formulaC22H21ClN4O3
IUPAC name2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyanophenyl)acetamide
Molecular weight424.885
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50163532
SCHEMBL3382897
2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-N-(4-cyano-phenyl)-acetamide; hydrochloride
CHEMBL1196600
Inchi KeyVSNUZXIDPIKXBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN4O3/c23-17-3-6-20-16(11-17)14-30-22(29)27(20)19-7-9-26(10-8-19)13-21(28)25-18-4-1-15(12-24)2-5-18/h1-6,11,19H,7-10,13-14H2,(H,25,28)
PubChem CID9981738
ChEMBLN/A
IUPHARN/A
BindingDB50163532
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
363170Neuropeptide Y receptor type 5Q63634Npy5rRattus norvegicus (Rat)445

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