General Information of the Compound
| Compound ID |
CP0542626
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| Compound Name |
US9051311, 23
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| Structure |
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| Formula |
C21H18N4O2S2
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| Molecular Weight |
422.535
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)N1CCc2c(C1)cccc2-c1cccc2ccccc12
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| InChI |
InChI=1S/C21H18N4O2S2/c26-29(27,24-21-22-14-23-28-21)25-12-11-18-16(13-25)7-4-10-20(18)19-9-3-6-15-5-1-2-8-17(15)19/h1-10,14H,11-13H2,(H,22,23,24)
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| InChIKey |
CUMLPSALSFWUDE-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