General Information of the Compound
| Compound ID |
CP0423366
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| Compound Name |
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] 2-acetamidoacetate
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| Structure |
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| Formula |
C26H47NO5
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| Molecular Weight |
453.664
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| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC(C)=O
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| InChI |
InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)20-27-21(3)28)19-24-23(26(30)32-24)18-16-9-7-5-2/h22-24H,4-20H2,1-3H3,(H,27,28)/t22-,23-,24-/m0/s1
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| InChIKey |
VSAGFURGDFIYMO-HJOGWXRNSA-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: PT04933, Diacylglycerol lipase-alpha