General Information of the Compound
| Compound ID |
CP0089979
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| Compound Name |
4-[4-[3-(3-methoxyphenoxy)phenyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C23H22O5
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| Molecular Weight |
378.424
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| Canonical SMILES |
COc1cccc(Oc2cccc(c2)-c2ccc(OCCCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C23H22O5/c1-26-20-6-3-8-22(16-20)28-21-7-2-5-18(15-21)17-10-12-19(13-11-17)27-14-4-9-23(24)25/h2-3,5-8,10-13,15-16H,4,9,14H2,1H3,(H,24,25)
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| InChIKey |
JWRADTOPKFRUDM-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4