General Information of the Compound
| Compound ID |
CP0516812
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| Compound Name |
US9012443, 337
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| Structure |
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| Formula |
C19H12ClN5O3S2
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| Molecular Weight |
457.924
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| Canonical SMILES |
COc1cc(Cl)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
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| InChI |
InChI=1S/C19H12ClN5O3S2/c1-28-17-8-16(20)12(9-21)7-15(17)18-14-3-2-13(6-11(14)4-5-22-18)30(26,27)25-19-24-23-10-29-19/h2-8,10H,1H3,(H,24,25)
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| InChIKey |
DUMMTDWYPVIFOZ-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