General Information of the Compound
| Compound ID |
CP0486062
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| Compound Name |
2-[[4-[3-[4-(3-hydroxy-3-methylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
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| Structure |
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| Formula |
C28H42O5
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| Molecular Weight |
458.639
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| Canonical SMILES |
CCC(CC)(c1ccc(OCCC(C)(C)O)c(C)c1)c1ccc(OCC(CO)CO)c(C)c1
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| InChI |
InChI=1S/C28H42O5/c1-7-28(8-2,23-9-11-25(20(3)15-23)32-14-13-27(5,6)31)24-10-12-26(21(4)16-24)33-19-22(17-29)18-30/h9-12,15-16,22,29-31H,7-8,13-14,17-19H2,1-6H3
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| InChIKey |
BMSCAUCWUSCEEA-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