General Information of the Compound
| Compound ID |
CP0445160
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| Compound Name |
(2E,4E,8E,10Z,14Z)-N-(2-methylpropyl)octadeca-2,4,8,10,14-pentaen-12-ynamide
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| Structure |
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
CCC\C=C/C#C\C=C/C=C/CC\C=C\C=C\C(=O)NCC(C)C
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| InChI |
InChI=1S/C22H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,14-15,20H2,1-3H3,(H,23,24)/b7-6-,11-10-,13-12+,17-16+,19-18+
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| InChIKey |
UZBWCKBPXRODJT-UFDOCAHHSA-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