General Information of the Compound
| Compound ID |
CP0549154
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| Compound Name |
(2S)-3-[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-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(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1
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| InChI |
InChI=1S/C28H42O5/c1-7-27(31,8-2)19-33-26-14-12-23(16-21(26)6)28(9-3,10-4)22-11-13-25(20(5)15-22)32-18-24(30)17-29/h11-16,24,29-31H,7-10,17-19H2,1-6H3/t24-/m0/s1
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| InChIKey |
YPCNBQSTXNQESO-DEOSSOPVSA-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