General Information of the Compound
| Compound ID |
CP0550481
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| Compound Name |
US9012443, 501
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| Structure |
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| Formula |
C18H13ClN4O4S2
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| Molecular Weight |
448.913
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H13ClN4O4S2/c1-27-15-5-2-10(19)8-14(15)16-12-4-3-11(9-13(12)17(24)22-21-16)29(25,26)23-18-20-6-7-28-18/h2-9H,1H3,(H,20,23)(H,22,24)
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| InChIKey |
QAOSOUGORUMZQA-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