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Ligand

NameCHEMBL178285
Molecular formulaC25H39N3O5S
IUPAC nameN-[[1-[3-(4,4-dimethylpiperidin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Molecular weight493.663
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.0
SynonymsSCHEMBL7954215
Inchi KeyCMJFOJMZVJTMOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H39N3O5S/c1-25(2)9-14-28(15-10-25)34(30,31)18-4-11-27-12-7-20(8-13-27)19-26-24(29)21-5-3-6-22-23(21)33-17-16-32-22/h3,5-6,20H,4,7-19H2,1-2H3,(H,26,29)
PubChem CID21268037
ChEMBLCHEMBL178285
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
453805-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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