General Information of the Compound
| Compound ID |
CP0413563
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| Compound Name |
US9346798, 53
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| Structure |
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| Formula |
C23H17F3N4O3S2
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| Molecular Weight |
518.542
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-c1ccncc1
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| InChI |
InChI=1S/C23H17F3N4O3S2/c24-23(25,26)16-1-3-19(18(13-16)15-5-7-27-8-6-15)30-10-11-33-21-14-17(2-4-20(21)30)35(31,32)29-22-28-9-12-34-22/h1-9,12-14H,10-11H2,(H,28,29)
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| InChIKey |
PPMOJHYERWGAEB-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