General Information of the Compound
| Compound ID |
CP0400477
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| Compound Name |
2-[6-(4-hexyl-3-hydroxyphenoxy)hexoxy]propane-1,3-diol
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| Structure |
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| Formula |
C21H36O5
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| Molecular Weight |
368.514
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| Canonical SMILES |
CCCCCCc1ccc(OCCCCCCOC(CO)CO)cc1O
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| InChI |
InChI=1S/C21H36O5/c1-2-3-4-7-10-18-11-12-19(15-21(18)24)25-13-8-5-6-9-14-26-20(16-22)17-23/h11-12,15,20,22-24H,2-10,13-14,16-17H2,1H3
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| InChIKey |
FJDOXMYAELZIBA-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