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Ligand

NameMLS001223988
Molecular formulaC22H28N2O4S
IUPAC nameN-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
Molecular weight416.536
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
Synonymscid_3228462
SMR000602332
AKOS030481864
N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide
N-(3,5-dimethylphenyl)-1-p-phenetylsulfonyl-nipecotamide
[ Show all ]
Inchi KeyAFLCBYWOVUOJFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N2O4S/c1-4-28-20-7-9-21(10-8-20)29(26,27)24-11-5-6-18(15-24)22(25)23-19-13-16(2)12-17(3)14-19/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,23,25)
PubChem CID3228462
ChEMBLCHEMBL1501952
IUPHARN/A
BindingDB79931
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4255Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
4256Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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