General Information of the Compound
| Compound ID |
CP0478120
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| Compound Name |
12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-trienoic acid [R-(1-hydroxypropan-2-yl)]-amide
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| Structure |
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| Formula |
C30H47NO2
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| Molecular Weight |
453.711
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| Canonical SMILES |
CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO
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| InChI |
InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1
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| InChIKey |
ZIXCCDXAORGXTL-BTGXJRSQSA-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