General Information of the Compound
| Compound ID |
CP0458972
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| Compound Name |
US9079902, 46
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| Structure |
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| Formula |
C19H15N5O2S2
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| Molecular Weight |
409.496
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| Canonical SMILES |
Cc1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C#N
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| InChI |
InChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-24(2)18-8-14(4-6-16(17)18)28(25,26)23-19-21-11-22-27-19/h3-8,10-11H,1-2H3,(H,21,22,23)
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| InChIKey |
MREGFIWMZXOFAZ-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