General Information of the Compound
| Compound ID |
CP0451742
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| Compound Name |
US9422235, 94
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| Structure |
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| Formula |
C16H22F3N3O2S
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| Molecular Weight |
377.432
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| Canonical SMILES |
FC(F)(F)c1cc(NN2CCCCC2)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C16H22F3N3O2S/c17-16(18,19)14-10-13(21-22-8-2-1-3-9-22)6-7-15(14)25(23,24)20-11-12-4-5-12/h6-7,10,12,20-21H,1-5,8-9,11H2
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| InChIKey |
SFRXOSJENFVHGX-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