General Information of the Compound
| Compound ID |
CP0477802
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| Compound Name |
2-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C23H22O5S
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| Molecular Weight |
410.491
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C23H22O5S/c1-16-5-3-6-17(2)23(16)19-8-4-7-18(13-19)14-28-20-9-11-21(12-10-20)29(26,27)15-22(24)25/h3-13H,14-15H2,1-2H3,(H,24,25)
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| InChIKey |
XOEJGAGLGMRRHY-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