General Information of the Compound
| Compound ID |
CP0418900
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| Compound Name |
1,3-dihydroxypropan-2-yl 11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanoate
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| Structure |
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| Formula |
C29H50O6
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| Molecular Weight |
494.713
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1
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| InChI |
InChI=1S/C29H50O6/c1-4-5-6-14-17-29(2,3)24-19-25(32)21-26(20-24)34-18-15-12-10-8-7-9-11-13-16-28(33)35-27(22-30)23-31/h19-21,27,30-32H,4-18,22-23H2,1-3H3
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| InChIKey |
OWRWLAMBCAEYGF-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