General Information of the Compound
| Compound ID |
CP0555106
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| Compound Name |
8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]-N-(2,2,2-trifluoroethyl)octanamide
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| Structure |
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| Formula |
C25H40F3NO3
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| Molecular Weight |
459.593
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1
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| InChI |
InChI=1S/C25H40F3NO3/c1-4-5-6-11-14-24(2,3)20-16-21(30)18-22(17-20)32-15-12-9-7-8-10-13-23(31)29-19-25(26,27)28/h16-18,30H,4-15,19H2,1-3H3,(H,29,31)
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| InChIKey |
GIVJXDXWVBZEPR-UHFFFAOYSA-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