General Information of the Compound
| Compound ID |
CP0241890
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| Compound Name |
2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)acetic acid
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| Structure |
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| Formula |
C19H22O4S
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| Molecular Weight |
346.448
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| Canonical SMILES |
Cc1cccc(OCCCOc2ccc(SCC(O)=O)cc2)c1C
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| InChI |
InChI=1S/C19H22O4S/c1-14-5-3-6-18(15(14)2)23-12-4-11-22-16-7-9-17(10-8-16)24-13-19(20)21/h3,5-10H,4,11-13H2,1-2H3,(H,20,21)
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| InChIKey |
JEALQGSCFFCFEN-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma