General Information of the Compound
| Compound ID |
CP0491904
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| Compound Name |
N-[2-(3,4-dihydroxyphenyl)ethyl]-11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanamide
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| Structure |
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| Formula |
C34H53NO5
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| Molecular Weight |
555.8
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCc2ccc(O)c(O)c2)c1
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| InChI |
InChI=1S/C34H53NO5/c1-4-5-6-14-20-34(2,3)28-24-29(36)26-30(25-28)40-22-15-12-10-8-7-9-11-13-16-33(39)35-21-19-27-17-18-31(37)32(38)23-27/h17-18,23-26,36-38H,4-16,19-22H2,1-3H3,(H,35,39)
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| InChIKey |
PKPJEIOWHFIXMG-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