General Information of the Compound
| Compound ID |
CP0386827
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| Compound Name |
(2E,4E,9E,12E)-N-(2-methylbutyl)hexadeca-2,4,9,12-tetraenamide
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| Structure |
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| Formula |
C21H35NO
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| Molecular Weight |
317.517
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| Canonical SMILES |
CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC
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| InChI |
InChI=1S/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
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| InChIKey |
HGYPPGZPVQBDIS-UWKXONKZSA-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
Protein ID: PT01099, Fatty-acid amide hydrolase 1