General Information of the Compound
| Compound ID |
CP0427498
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| Compound Name |
11-(2-hexyl-5-hydroxy-phenoxy)-undecanoic acid[2-(3,4-dihydroxy-phenyl)-ethyl]-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)NCCc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C31H47NO5/c1-2-3-4-11-15-26-27(33)16-14-17-30(26)37-23-13-10-8-6-5-7-9-12-18-31(36)32-22-21-25-19-20-28(34)29(35)24-25/h14,16-17,19-20,24,33-35H,2-13,15,18,21-23H2,1H3,(H,32,36)
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| InChIKey |
QAVHCEUJCDWXLO-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