General Information of the Compound
| Compound ID |
CP0512366
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| Compound Name |
US9422235, 108
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| Structure |
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| Formula |
C19H27F3N2O2S
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| Molecular Weight |
404.498
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| Canonical SMILES |
CC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C19H27F3N2O2S/c1-18(2,13-8-9-13)24-27(25,26)17-11-10-15(12-16(17)19(20,21)22)23-14-6-4-3-5-7-14/h10-14,23-24H,3-9H2,1-2H3
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| InChIKey |
SAFPVFNYBFBXRR-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