General Information of the Compound
| Compound ID |
CP0530087
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| Compound Name |
(2S)-3-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
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| Structure |
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| Formula |
C26H38O5
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| Molecular Weight |
430.585
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| Canonical SMILES |
CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1
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| InChI |
InChI=1S/C26H38O5/c1-7-26(8-2,20-9-11-23(18(3)13-20)30-16-22(28)15-27)21-10-12-24(19(4)14-21)31-17-25(5,6)29/h9-14,22,27-29H,7-8,15-17H2,1-6H3/t22-/m0/s1
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| InChIKey |
FOVIJFDLUANMTH-QFIPXVFZSA-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