General Information of the Compound
| Compound ID |
CP0417693
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| Compound Name |
US9051311, 24
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| Structure |
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| Formula |
C20H17N5O2S2
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| Molecular Weight |
423.523
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cncc2ccccc12
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| InChI |
InChI=1S/C20H17N5O2S2/c26-29(27,24-20-22-13-23-28-20)25-9-8-17-15(12-25)5-3-7-18(17)19-11-21-10-14-4-1-2-6-16(14)19/h1-7,10-11,13H,8-9,12H2,(H,22,23,24)
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| InChIKey |
FCRCEFKHUVZZBD-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