General Information of the Compound
| Compound ID |
CP0515131
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| Compound Name |
(5Z,8Z,11Z)-N-((R)-1-hydroxypropan-2-yl)-14-(3-(2-methyloctan-2-yl)phenoxy)tetradeca-5,8,11-trienamide
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| Structure |
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| Formula |
C32H51NO3
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| Molecular Weight |
497.764
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| Canonical SMILES |
CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1
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| InChI |
InChI=1S/C32H51NO3/c1-5-6-7-18-24-32(3,4)29-21-20-22-30(26-29)36-25-19-16-14-12-10-8-9-11-13-15-17-23-31(35)33-28(2)27-34/h8,10-11,13-14,16,20-22,26,28,34H,5-7,9,12,15,17-19,23-25,27H2,1-4H3,(H,33,35)/b10-8-,13-11-,16-14-/t28-/m1/s1
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| InChIKey |
NXDFOKJLFVLPDN-PIYJQUHVSA-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