General Information of the Compound
| Compound ID |
CP0444412
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| Compound Name |
11-(2-hexyl-5-hydroxy-phenoxy)-undecanoic acid(3-methoxy-4-hydroxy-phenyl)-amide
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| Structure |
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| Formula |
C31H47NO5
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| Molecular Weight |
513.719
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| Canonical SMILES |
CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCc1ccc(OC)c(O)c1
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| InChI |
InChI=1S/C31H47NO5/c1-3-4-5-12-16-26-27(33)17-15-18-29(26)37-22-14-11-9-7-6-8-10-13-19-31(35)32-24-25-20-21-30(36-2)28(34)23-25/h15,17-18,20-21,23,33-34H,3-14,16,19,22,24H2,1-2H3,(H,32,35)
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| InChIKey |
VBHCYRLOLOFGRF-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