General Information of the Compound
| Compound ID |
CP0574603
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| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenoxy]propanoic 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 |
CC(Oc1ccc(OCc2cccc(c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)cc1)C(O)=O
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| InChI |
InChI=1S/C28H32O7S/c1-19-15-26(33-13-6-14-36(4,31)32)16-20(2)27(19)23-8-5-7-22(17-23)18-34-24-9-11-25(12-10-24)35-21(3)28(29)30/h5,7-12,15-17,21H,6,13-14,18H2,1-4H3,(H,29,30)
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| InChIKey |
SZCAYBZDOCDXPP-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