General Information of the Compound
| Compound ID |
CP0558104
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| Compound Name |
2-[4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]sulfonyl-2-methylpropanoic 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 |
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)C(C)(C)C(O)=O)c1
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| InChI |
InChI=1S/C26H28O6S/c1-17-13-22(31-5)14-18(2)24(17)20-8-6-7-19(15-20)16-32-21-9-11-23(12-10-21)33(29,30)26(3,4)25(27)28/h6-15H,16H2,1-5H3,(H,27,28)
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| InChIKey |
KKLBOCFYERTJKS-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