General Information of the Compound
| Compound ID |
CP0204345
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| Compound Name |
2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C27H30O4S
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| Molecular Weight |
450.6
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)
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| InChIKey |
PMSKZXYPUKICSQ-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