General Information of the Compound
| Compound ID |
CP0548830
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| Compound Name |
8-[3-methoxy-5-(2-methyloctan-2-yl)phenoxy]-N-(2,2,2-trifluoroethyl)octanamide
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| Structure |
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| Formula |
C26H42F3NO3
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| Molecular Weight |
473.62
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1
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| InChI |
InChI=1S/C26H42F3NO3/c1-5-6-7-12-15-25(2,3)21-17-22(32-4)19-23(18-21)33-16-13-10-8-9-11-14-24(31)30-20-26(27,28)29/h17-19H,5-16,20H2,1-4H3,(H,30,31)
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| InChIKey |
SBVPWWCCIVFUKV-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