General Information of the Compound
| Compound ID |
CP0384859
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| Compound Name |
US9051311, 22
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| Structure |
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| Formula |
C22H17F3N6O2S2
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| Molecular Weight |
518.546
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| Canonical SMILES |
FC(F)(F)c1ccc(-c2cccc3CN(CCc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cncnc1
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| InChI |
InChI=1S/C22H17F3N6O2S2/c23-22(24,25)16-4-5-19(20(8-16)15-9-26-12-27-10-15)18-3-1-2-14-11-31(7-6-17(14)18)35(32,33)30-21-28-13-29-34-21/h1-5,8-10,12-13H,6-7,11H2,(H,28,29,30)
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| InChIKey |
CSWYUBWEAKUYRC-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha