General Information of the Compound
| Compound ID |
CP0564013
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| Compound Name |
2-[4-[[3-(2-chloro-4-ethoxyphenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C23H21ClO6S
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| Molecular Weight |
460.935
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| Canonical SMILES |
CCOc1ccc(c(Cl)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C23H21ClO6S/c1-2-29-19-8-11-21(22(24)13-19)17-5-3-4-16(12-17)14-30-18-6-9-20(10-7-18)31(27,28)15-23(25)26/h3-13H,2,14-15H2,1H3,(H,25,26)
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| InChIKey |
DLOCFEFHMHCCIV-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