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Ligand

NameCHEMBL3741933
Molecular formulaC23H32FN3O2
IUPAC name1-[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
Molecular weight401.526
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
Synonyms(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)(tert-butyl) ketone
J3.517.035I
Inchi KeyAULHIOOHAIVYOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32FN3O2/c1-23(2,3)22(28)27-12-6-16(7-13-27)15-26-10-8-17(9-11-26)21-19-5-4-18(24)14-20(19)29-25-21/h4-5,14,16-17H,6-13,15H2,1-3H3
PubChem CID127041747
ChEMBLCHEMBL3741933
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5218895-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5218905-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
521891D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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