General Information of the Compound
| Compound ID |
CP0424278
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| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C27H30O7S
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| Molecular Weight |
498.597
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C27H30O7S/c1-19-14-25(32-12-5-13-35(3,30)31)15-20(2)27(19)22-7-4-6-21(16-22)17-33-23-8-10-24(11-9-23)34-18-26(28)29/h4,6-11,14-16H,5,12-13,17-18H2,1-3H3,(H,28,29)
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| InChIKey |
PKABHDCTGUFRDD-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