General Information of the Compound
| Compound ID |
CP0487935
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| Compound Name |
N-(1,3-dihydroxypropan-2-yl)-11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanamide
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| Structure |
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| Formula |
C29H51NO5
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| Molecular Weight |
493.729
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1
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| InChI |
InChI=1S/C29H51NO5/c1-4-5-6-14-17-29(2,3)24-19-26(33)21-27(20-24)35-18-15-12-10-8-7-9-11-13-16-28(34)30-25(22-31)23-32/h19-21,25,31-33H,4-18,22-23H2,1-3H3,(H,30,34)
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| InChIKey |
YMVSXVUOZDQSQE-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