General Information of the Compound
| Compound ID |
CP0486063
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| Compound Name |
2-[[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
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| Structure |
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| Formula |
C29H44O5
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| Molecular Weight |
472.666
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| Canonical SMILES |
CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OCC(CO)CO)c(C)c1
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| InChI |
InChI=1S/C29H44O5/c1-7-28(32,8-2)20-34-27-14-12-25(16-22(27)6)29(9-3,10-4)24-11-13-26(21(5)15-24)33-19-23(17-30)18-31/h11-16,23,30-32H,7-10,17-20H2,1-6H3
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| InChIKey |
JUEOQFVJRIRRSF-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