General Information of the Compound
| Compound ID |
CP0878642
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| Compound Name |
(E)-7-Naphthalen-2-yl-5-oxo-hept-6-enoic acid glycinamide ethyl ester
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
CCOC(=O)CNC(=O)CCCC(=O)/C=C/c1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H23NO4/c1-2-26-21(25)15-22-20(24)9-5-8-19(23)13-11-16-10-12-17-6-3-4-7-18(17)14-16/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,22,24)/b13-11+
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| InChIKey |
IAOYCNAAGNIURB-ACCUITESSA-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