General Information of the Compound
| Compound ID |
CP0574145
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| Compound Name |
2-[4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]sulfonylbutanoic acid
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| Structure |
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| Formula |
C26H28O6S
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| Molecular Weight |
468.571
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| Canonical SMILES |
CCC(C(O)=O)S(=O)(=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OC)cc2C)cc1
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| InChI |
InChI=1S/C26H28O6S/c1-5-24(26(27)28)33(29,30)23-11-9-21(10-12-23)32-16-19-7-6-8-20(15-19)25-17(2)13-22(31-4)14-18(25)3/h6-15,24H,5,16H2,1-4H3,(H,27,28)
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| InChIKey |
POMFGSUXVORAAJ-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