General Information of the Compound
| Compound ID |
CP0524616
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| Compound Name |
US9346798, 160
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| Structure |
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| Formula |
C21H19N3O4S2
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| Molecular Weight |
441.534
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| Canonical SMILES |
O=C1CCCc2ccc(cc12)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H19N3O4S2/c25-19-3-1-2-14-4-5-15(12-17(14)19)24-9-10-28-20-13-16(6-7-18(20)24)30(26,27)23-21-22-8-11-29-21/h4-8,11-13H,1-3,9-10H2,(H,22,23)
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| InChIKey |
IOWZAVOJWNVIGR-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