General Information of the Compound
| Compound ID |
CP0383731
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| Compound Name |
US9346798, 25
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| Structure |
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| Formula |
C22H19F3N4O4S2
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| Molecular Weight |
524.546
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C1=CCOCC1
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| InChI |
InChI=1S/C22H19F3N4O4S2/c23-22(24,25)15-1-3-18(17(11-15)14-5-8-32-9-6-14)29-7-10-33-20-12-16(2-4-19(20)29)35(30,31)28-21-26-13-27-34-21/h1-5,11-13H,6-10H2,(H,26,27,28)
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| InChIKey |
RJICYSPMHMARFC-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