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Ligand

NameCHEMBL3955804
Molecular formulaC12H14O4S2
IUPAC name2-(2-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
Molecular weight286.36
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.1
Synonyms2-(2-Methylphenyl)-6,7-dihydro-5H-1,4-dithiepin 1,1,4,4-tetraoxide
Inchi KeyPIKQWVNLTCUHHY-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14O4S2/c1-10-5-2-3-6-11(10)12-9-17(13,14)7-4-8-18(12,15)16/h2-3,5-6,9H,4,7-8H2,1H3
PubChem CID91000662
ChEMBLCHEMBL3955804
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
542887Galanin receptor type 1P47211GALR1Homo sapiens (Human)349

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