General Information of the Compound
| Compound ID |
CP0413562
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| Compound Name |
US9346798, 40
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| Structure |
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| Formula |
C17H14ClN3O3S2
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| Molecular Weight |
407.904
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| Canonical SMILES |
Clc1ccc(cc1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C17H14ClN3O3S2/c18-12-1-3-13(4-2-12)21-8-9-24-16-11-14(5-6-15(16)21)26(22,23)20-17-19-7-10-25-17/h1-7,10-11H,8-9H2,(H,19,20)
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| InChIKey |
KPWMKCJBZCJCIA-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