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Ligand

NameAC1MDXZY
Molecular formulaC17H16F2O4
IUPAC name2-O-(2,4-difluorophenyl) 1-O-prop-2-enyl cyclohex-4-ene-1,2-dicarboxylate
Molecular weight322.308
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
Synonyms2-O-(2,4-difluorophenyl) 1-O-prop-2-enyl cyclohex-4-ene-1,2-dicarboxylate
CHEMBL1507555
HMS1582K21
HMS2432G21
MLS000106416
[ Show all ]
Inchi KeyABKPCJYZQKKXBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16F2O4/c1-2-9-22-16(20)12-5-3-4-6-13(12)17(21)23-15-8-7-11(18)10-14(15)19/h2-4,7-8,10,12-13H,1,5-6,9H2
PubChem CID2844839
ChEMBLCHEMBL1507555
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
931Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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