General Information of the Compound
| Compound ID |
CP0443548
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| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C28H32O7S
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| Molecular Weight |
512.624
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| Canonical SMILES |
Cc1cc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)ccc1OCC(O)=O
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| InChI |
InChI=1S/C28H32O7S/c1-19-13-24(9-10-26(19)35-18-27(29)30)34-17-22-7-5-8-23(16-22)28-20(2)14-25(15-21(28)3)33-11-6-12-36(4,31)32/h5,7-10,13-16H,6,11-12,17-18H2,1-4H3,(H,29,30)
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| InChIKey |
LTMNRMUIWMEIIU-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