General Information of the Compound
| Compound ID |
CP0545217
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| Compound Name |
2-[4-[[3-(4-ethoxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C25H26O6S
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| Molecular Weight |
454.544
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| Canonical SMILES |
CCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C25H26O6S/c1-4-30-22-12-17(2)25(18(3)13-22)20-7-5-6-19(14-20)15-31-21-8-10-23(11-9-21)32(28,29)16-24(26)27/h5-14H,4,15-16H2,1-3H3,(H,26,27)
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| InChIKey |
SKUJGAAEAUWXHM-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