General Information of the Compound
| Compound ID |
CP0489509
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| Compound Name |
2-[4-[3-(3-chlorophenoxy)propoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C17H17ClO6S
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| Molecular Weight |
384.837
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| Canonical SMILES |
OC(=O)CS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C17H17ClO6S/c18-13-3-1-4-15(11-13)24-10-2-9-23-14-5-7-16(8-6-14)25(21,22)12-17(19)20/h1,3-8,11H,2,9-10,12H2,(H,19,20)
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| InChIKey |
DUSZVHNUEUIBPO-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: PT02793, Free fatty acid receptor 1
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma