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Ligand

NameCHEMBL1774896
Molecular formulaC25H13F9O4S
IUPAC name4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl]-7-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxylic acid
Molecular weight580.421
Hydrogen bond acceptor14
Hydrogen bond donor2
XlogP8.0
SynonymsBDBM50343881
4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid
Inchi KeyQFWPUZBCALDZQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H13F9O4S/c26-23(27,28)22(37,24(29,30)31)20-11-39-10-19(20)18-9-15(21(35)36)8-14-7-13(3-6-17(14)18)12-1-4-16(5-2-12)38-25(32,33)34/h1-11,37H,(H,35,36)
PubChem CID54584880
ChEMBLCHEMBL1774896
IUPHARN/A
BindingDB50343881
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
277308P2Y purinoceptor 14Q9ESG6P2ry14Mus musculus (Mouse)338

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