General Information of the Compound
| Compound ID |
CP0468178
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| Compound Name |
US9051311, 16
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| Structure |
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| Formula |
C21H17F3N6O2S2
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| Molecular Weight |
506.535
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H17F3N6O2S2/c22-21(23,24)15-4-5-18(19(8-15)14-9-26-27-10-14)17-3-1-2-13-11-30(7-6-16(13)17)34(31,32)29-20-25-12-28-33-20/h1-5,8-10,12H,6-7,11H2,(H,26,27)(H,25,28,29)
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| InChIKey |
XYJZIJLBVINFCQ-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