General Information of the Compound
| Compound ID |
CP0035359
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| Compound Name |
3-(4-((R)-3-(4-ethyl-2-(thiophen-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C26H30O4S
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| Molecular Weight |
438.589
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| Canonical SMILES |
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccs1
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| InChI |
InChI=1S/C26H30O4S/c1-4-20-7-11-24(23(17-20)25-6-5-15-31-25)30-19(3)13-14-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,15-17,19H,4,9,12-14H2,1-3H3,(H,27,28)/t19-/m1/s1
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| InChIKey |
GILNREMWBDGIQX-LJQANCHMSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma