General Information of the Compound
| Compound ID |
CP0438102
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| Compound Name |
2-[4-[3-(3-chlorophenoxy)propoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C17H16ClFO5
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| Molecular Weight |
354.761
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| Canonical SMILES |
OC(=O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F
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| InChI |
InChI=1S/C17H16ClFO5/c18-12-3-1-4-13(9-12)22-7-2-8-23-14-5-6-16(15(19)10-14)24-11-17(20)21/h1,3-6,9-10H,2,7-8,11H2,(H,20,21)
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| InChIKey |
JCRGZSDZUGRKLP-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