General Information of the Compound
| Compound ID |
CP0545219
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| Compound Name |
2-[4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C24H24O6S
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| Molecular Weight |
440.517
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C24H24O6S/c1-16-11-21(29-3)12-17(2)24(16)19-6-4-5-18(13-19)14-30-20-7-9-22(10-8-20)31(27,28)15-23(25)26/h4-13H,14-15H2,1-3H3,(H,25,26)
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| InChIKey |
RNOZYRXFDFHXAN-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