General Information of the Compound
| Compound ID |
CP0454441
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| Compound Name |
4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]benzene-1,2-diol
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| Structure |
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| Formula |
C20H26O3
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| Molecular Weight |
314.425
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C20H26O3/c1-4-10-20(11-5-2,15-6-8-17(21)14(3)12-15)16-7-9-18(22)19(23)13-16/h6-9,12-13,21-23H,4-5,10-11H2,1-3H3
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| InChIKey |
WJHWOVWEFSHNNB-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