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Ligand

NameCHEMBL3941717
Molecular formulaC18H16O6S2
IUPAC namephenyl 3-(1,1,4,4-tetraoxo-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzoate
Molecular weight392.44
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.2
Synonyms2-[3-(Phenoxycarbonyl)phenyl]-6,7-dihydro-5H-1,4-dithiepin 1,1,4,4-tetraoxide
Inchi KeyCXTWTZZPGVLLDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16O6S2/c19-18(24-16-8-2-1-3-9-16)15-7-4-6-14(12-15)17-13-25(20,21)10-5-11-26(17,22)23/h1-4,6-9,12-13H,5,10-11H2
PubChem CID101061653
ChEMBLCHEMBL3941717
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
537304Galanin receptor type 1P47211GALR1Homo sapiens (Human)349

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