General Information of the Compound
| Compound ID |
CP0560957
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| Compound Name |
US9012443, 524
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| Structure |
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| Formula |
C17H12ClN5O3S2
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| Molecular Weight |
433.902
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| Canonical SMILES |
COc1cc(Cl)ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C17H12ClN5O3S2/c1-26-15-6-10(18)2-4-13(15)16-12-5-3-11(7-14(12)19-8-20-16)28(24,25)23-17-21-9-22-27-17/h2-9H,1H3,(H,21,22,23)
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| InChIKey |
AFWKFAHNWARIHO-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