General Information of the Compound
| Compound ID |
CP0169284
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| Compound Name |
1,7-bis[4-hydroxy-3-methoxy-5-(3-methylbutyl)phenyl]heptane-3,5-dione
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| Structure |
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| Formula |
C31H44O6
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| Molecular Weight |
512.687
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| Canonical SMILES |
COc1cc(CCC(=O)CC(=O)CCc2cc(CCC(C)C)c(O)c(OC)c2)cc(CCC(C)C)c1O
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| InChI |
InChI=1S/C31H44O6/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26(32)19-27(33)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h15-18,20-21,34-35H,7-14,19H2,1-6H3
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| InChIKey |
RGQRMXOWQQAADE-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