General Information of the Compound
| Compound ID |
CP0525149
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| Compound Name |
US9079902, 40
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| Structure |
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| Formula |
C22H18N4O3S2
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| Molecular Weight |
450.545
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| Canonical SMILES |
COc1ccc(-c2cn(C)c3cc(ccc23)S(=O)(=O)Nc2ncns2)c2ccccc12
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| InChI |
InChI=1S/C22H18N4O3S2/c1-26-12-19(16-9-10-21(29-2)18-6-4-3-5-15(16)18)17-8-7-14(11-20(17)26)31(27,28)25-22-23-13-24-30-22/h3-13H,1-2H3,(H,23,24,25)
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| InChIKey |
XOUCTLNHPHHKIJ-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