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Ligand

NameCHEMBL468919
Molecular formulaC18H19ClN2O2S
IUPAC nameN-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]methanesulfonamide
Molecular weight362.872
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL5584412
Inchi KeyAGGRDHRJDWHWOX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN2O2S/c1-13(21-24(2,22)23)18(11-14-6-8-17(19)9-7-14)16-5-3-4-15(10-16)12-20/h3-10,13,18,21H,11H2,1-2H3
PubChem CID44574098
ChEMBLCHEMBL468919
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
4862Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472

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