General Information of the Compound
| Compound ID |
CP0140962
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| Compound Name |
2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C24H32O4S
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| Molecular Weight |
416.583
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O
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| InChI |
InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)
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| InChIKey |
ITNPHPQZKZCHCC-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