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Ligand

NameCHEMBL2115333
Molecular formulaC22H24O6
IUPAC name[(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] acetate
Molecular weight384.428
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsN/A
Inchi KeyBUJIJNBODIQJAG-ZKCQSVRFSA-N
Inchi IDInChI=1S/C22H24O6/c1-6-7-16-12-22(28-14(3)23)13(2)21(27-20(22)11-17(16)24)15-8-9-18(25-4)19(10-15)26-5/h6,8-13,21H,1,7H2,2-5H3/t13-,21+,22+/m1/s1
PubChem CID10872689
ChEMBLCHEMBL2115333
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
33120Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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