General Information of the Compound
| Compound ID |
CP0411873
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| Compound Name |
N-(1-adamantyl)-11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanamide
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| Structure |
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| Formula |
C36H59NO3
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| Molecular Weight |
553.872
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C36H59NO3/c1-4-5-6-14-17-35(2,3)31-22-32(38)24-33(23-31)40-18-15-12-10-8-7-9-11-13-16-34(39)37-36-25-28-19-29(26-36)21-30(20-28)27-36/h22-24,28-30,38H,4-21,25-27H2,1-3H3,(H,37,39)
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| InChIKey |
GEXKQASKTSQDAL-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