General Information of the Compound
| Compound ID |
CP0415870
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| Compound Name |
2-[4-[[3-[4-(2-methoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C26H28O7S
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| Molecular Weight |
484.57
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| Canonical SMILES |
COCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C26H28O7S/c1-18-13-23(32-12-11-31-3)14-19(2)26(18)21-6-4-5-20(15-21)16-33-22-7-9-24(10-8-22)34(29,30)17-25(27)28/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,27,28)
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| InChIKey |
RQIIHUMFFFAOHH-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