General Information of the Compound
| Compound ID |
CP0411700
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| Compound Name |
2-[2-methyl-4-[3-(4-phenylphenoxy)propoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C24H24O5
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| Molecular Weight |
392.451
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| Canonical SMILES |
Cc1cc(OCCCOc2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C24H24O5/c1-18-16-22(12-13-23(18)29-17-24(25)26)28-15-5-14-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,25,26)
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| InChIKey |
FHMQVNRYYFFGCI-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