General Information of the Compound
| Compound ID |
CP0413552
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| Compound Name |
US9346798, 137
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| Structure |
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| Formula |
C18H18N4O4S2
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| Molecular Weight |
418.5
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| Canonical SMILES |
COc1cc(C)c(cn1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H18N4O4S2/c1-12-9-17(25-2)20-11-15(12)22-6-7-26-16-10-13(3-4-14(16)22)28(23,24)21-18-19-5-8-27-18/h3-5,8-11H,6-7H2,1-2H3,(H,19,21)
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| InChIKey |
DJFLJUUTVYEHEZ-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