General Information of the Compound
| Compound ID |
CP0409740
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| Compound Name |
US9051311, 33
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| Structure |
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| Formula |
C22H20F3N5O2S2
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| Molecular Weight |
507.563
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)C1=CCNC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C22H20F3N5O2S2/c23-22(24,25)16-4-5-19(20(10-16)14-6-8-26-11-14)18-3-1-2-15-12-30(9-7-17(15)18)34(31,32)29-21-27-13-28-33-21/h1-6,10,13,26H,7-9,11-12H2,(H,27,28,29)
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| InChIKey |
RVMZDBMSBRLFAR-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