General Information of the Compound
| Compound ID |
CP0495510
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| Compound Name |
US9346798, 103
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| Structure |
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| Formula |
C18H17ClN4O4S2
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| Molecular Weight |
452.945
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| Canonical SMILES |
COc1cc(Cl)cnc1N1CC(C)Oc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H17ClN4O4S2/c1-11-10-23(17-16(26-2)7-12(19)9-21-17)14-4-3-13(8-15(14)27-11)29(24,25)22-18-20-5-6-28-18/h3-9,11H,10H2,1-2H3,(H,20,22)
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| InChIKey |
JVAMQXMYGZEAKW-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