General Information of the Compound
| Compound ID |
CP0555105
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| Compound Name |
N-(1-adamantyl)-11-(4-hexyl-3-hydroxyphenoxy)undecanamide
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| Structure |
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| Formula |
C33H53NO3
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| Molecular Weight |
511.791
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| Canonical SMILES |
CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O
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| InChI |
InChI=1S/C33H53NO3/c1-2-3-4-11-14-29-16-17-30(22-31(29)35)37-18-13-10-8-6-5-7-9-12-15-32(36)34-33-23-26-19-27(24-33)21-28(20-26)25-33/h16-17,22,26-28,35H,2-15,18-21,23-25H2,1H3,(H,34,36)
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| InChIKey |
NWFLYJVSUKRJDH-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