General Information of the Compound
| Compound ID |
CP0461729
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| Compound Name |
11-(3-hydroxy-5-pentylphenoxy)undecanoic acid (4-hydroxyphenyl)amide
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| Structure |
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| Formula |
C28H41NO4
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| Molecular Weight |
455.639
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C28H41NO4/c1-2-3-10-13-23-20-26(31)22-27(21-23)33-19-12-9-7-5-4-6-8-11-14-28(32)29-24-15-17-25(30)18-16-24/h15-18,20-22,30-31H,2-14,19H2,1H3,(H,29,32)
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| InChIKey |
GQUAMONQHZIZKG-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