General Information of the Compound
| Compound ID |
CP0568240
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| Compound Name |
2-[4-[[3-(1-benzothiophen-6-yl)phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C23H17FO4S
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| Molecular Weight |
408.45
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| Canonical SMILES |
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3ccsc3c2)cc1F
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| InChI |
InChI=1S/C23H17FO4S/c24-20-12-19(6-7-21(20)28-14-23(25)26)27-13-15-2-1-3-17(10-15)18-5-4-16-8-9-29-22(16)11-18/h1-12H,13-14H2,(H,25,26)
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| InChIKey |
NVQBNMPXOIMOQX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta