General Information of the Compound
| Compound ID |
CP0217019
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| Compound Name |
2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C25H32O4S
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| Molecular Weight |
428.594
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
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| InChI |
InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)
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| InChIKey |
LUTLDXKHISCIJB-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma