General Information of the Compound
| Compound ID |
CP0461991
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| Compound Name |
2,3-dihydroxypropyl 11-(2-hexyl-5-hydroxyphenoxy)undecanoate
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| Structure |
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| Formula |
C26H44O6
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| Molecular Weight |
452.632
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| Canonical SMILES |
CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)OCC(O)CO
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| InChI |
InChI=1S/C26H44O6/c1-2-3-4-11-14-22-16-17-23(28)19-25(22)31-18-13-10-8-6-5-7-9-12-15-26(30)32-21-24(29)20-27/h16-17,19,24,27-29H,2-15,18,20-21H2,1H3
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| InChIKey |
VMXBSNRRWMNLOK-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