General Information of the Compound
| Compound ID |
CP0402717
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| Compound Name |
US9346798, 23
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| Structure |
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| Formula |
C21H15F3N6O3S2
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| Molecular Weight |
520.518
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cncnc1
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| InChI |
InChI=1S/C21H15F3N6O3S2/c22-21(23,24)14-1-3-17(16(7-14)13-9-25-11-26-10-13)30-5-6-33-19-8-15(2-4-18(19)30)35(31,32)29-20-27-12-28-34-20/h1-4,7-12H,5-6H2,(H,27,28,29)
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| InChIKey |
SIMFEAOIHXDPFG-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