General Information of the Compound
| Compound ID |
CP0561481
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| Compound Name |
US9012443, 324
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| Structure |
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| Formula |
C20H14N4O3S2
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| Molecular Weight |
422.491
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| Canonical SMILES |
COc1ccccc1-c1c(cnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
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| InChI |
InChI=1S/C20H14N4O3S2/c1-27-18-5-3-2-4-16(18)19-13(11-21)12-23-17-10-14(6-7-15(17)19)29(25,26)24-20-22-8-9-28-20/h2-10,12H,1H3,(H,22,24)
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| InChIKey |
AJMSKIHDFBXAAG-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