General Information of the Compound
| Compound ID |
CP0489596
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| Compound Name |
US9422235, 29
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| Structure |
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| Formula |
C20H19F3N2O5S
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| Molecular Weight |
456.442
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| Canonical SMILES |
COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCc2ccco2)cc(OC)c1
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| InChI |
InChI=1S/C20H19F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h3-11,24-25H,12H2,1-2H3
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| InChIKey |
IMRLDBWTVGRTPM-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