General Information of the Compound
| Compound ID |
CP0531104
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| Compound Name |
US9346798, 116
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| Structure |
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| Formula |
C19H16N4O3S2
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| Molecular Weight |
412.496
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| Canonical SMILES |
Cc1cc(ccc1C#N)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H16N4O3S2/c1-13-10-15(3-2-14(13)12-20)23-7-8-26-18-11-16(4-5-17(18)23)28(24,25)22-19-21-6-9-27-19/h2-6,9-11H,7-8H2,1H3,(H,21,22)
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| InChIKey |
CUJLQDZKFKZKNS-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