General Information of the Compound
| Compound ID |
CP0393671
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| Compound Name |
(3R)-3-[5-[[3-(2,6-dimethylphenyl)phenyl]methoxy]thiophen-2-yl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C24H26O4S
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| Molecular Weight |
410.535
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| Canonical SMILES |
CCO[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1
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| InChI |
InChI=1S/C24H26O4S/c1-4-27-20(14-22(25)26)21-11-12-23(29-21)28-15-18-9-6-10-19(13-18)24-16(2)7-5-8-17(24)3/h5-13,20H,4,14-15H2,1-3H3,(H,25,26)/t20-/m1/s1
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| InChIKey |
SSFZJQHTYBHEMR-HXUWFJFHSA-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: PT04427, Free fatty acid receptor 4
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma