General Information of the Compound
| Compound ID |
CP0477866
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| Compound Name |
US9422235, 31
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| Structure |
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| Formula |
C20H21F3N2O3S
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| Molecular Weight |
426.46
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1S(=O)(=O)NCC1CCCO1)N1CCc2ccccc12
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| InChI |
InChI=1S/C20H21F3N2O3S/c21-20(22,23)17-12-15(25-10-9-14-4-1-2-6-18(14)25)7-8-19(17)29(26,27)24-13-16-5-3-11-28-16/h1-2,4,6-8,12,16,24H,3,5,9-11,13H2
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| InChIKey |
ZXUZAPJTRDGBSY-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