General Information of the Compound
| Compound ID |
CP0412748
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| Compound Name |
11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dienoic acid [R(1-hydroxypropan-2-yl)]-amide
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| Structure |
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| Formula |
C29H47NO3
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| Molecular Weight |
457.699
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| Canonical SMILES |
CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1
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| InChI |
InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
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| InChIKey |
UNDUGXOFFFAITG-IGNCQIMGSA-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