General Information of the Compound
| Compound ID |
CP0452193
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| Compound Name |
2-[8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octoxy]propane-1,3-diol
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| Structure |
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| Formula |
C26H46O5
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| Molecular Weight |
438.649
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1
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| InChI |
InChI=1S/C26H46O5/c1-4-5-6-11-14-26(2,3)22-17-23(29)19-24(18-22)30-15-12-9-7-8-10-13-16-31-25(20-27)21-28/h17-19,25,27-29H,4-16,20-21H2,1-3H3
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| InChIKey |
JCJPUCGVJHINQD-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2