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Ligand

NameCHEMBL3560453
Molecular formulaC21H18BrN3O2
IUPAC name4-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperazine-1-carbonyl]benzonitrile
Molecular weight424.298
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.1
SynonymsSBI-0646761.0001
SCHEMBL16598956
SCHEMBL16598957
Inchi KeyOFDBXORHRZEUNR-BJMVGYQFSA-N
Inchi IDInChI=1S/C21H18BrN3O2/c22-19-8-3-16(4-9-19)5-10-20(26)24-11-13-25(14-12-24)21(27)18-6-1-17(15-23)2-7-18/h1-10H,11-14H2/b10-5+
PubChem CID73330424
ChEMBLCHEMBL3560453
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
492674G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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