General Information of the Compound
Compound ID |
CP0492411
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Compound Name |
1,3-dihydroxypropan-2-yl 8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanoate
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Structure |
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Formula |
C26H44O6
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Molecular Weight |
452.632
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Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1
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InChI |
InChI=1S/C26H44O6/c1-4-5-6-11-14-26(2,3)21-16-22(29)18-23(17-21)31-15-12-9-7-8-10-13-25(30)32-24(19-27)20-28/h16-18,24,27-29H,4-15,19-20H2,1-3H3
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InChIKey |
NUCDCMLWTLPWOQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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