General Information of the Compound
| Compound ID |
CP0550557
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| Compound Name |
8-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]octanoic acid
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| Structure |
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| Formula |
C24H30O5
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| Molecular Weight |
398.499
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OCCCCCCCC(O)=O)c2)cc1
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| InChI |
InChI=1S/C24H30O5/c1-27-21-13-11-19(12-14-21)9-10-20-16-22(28-2)18-23(17-20)29-15-7-5-3-4-6-8-24(25)26/h9-14,16-18H,3-8,15H2,1-2H3,(H,25,26)/b10-9+
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| InChIKey |
MNKZDYGBWDHRMX-MDZDMXLPSA-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