General Information of the Compound
| Compound ID |
CP0402673
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| Compound Name |
US9346798, 62
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| Structure |
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| Formula |
C25H23F3N4O3S
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| Molecular Weight |
516.545
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccccn2)c(c1)C1=CCNCC1
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| InChI |
InChI=1S/C25H23F3N4O3S/c26-25(27,28)18-4-6-21(20(15-18)17-8-11-29-12-9-17)32-13-14-35-23-16-19(5-7-22(23)32)36(33,34)31-24-3-1-2-10-30-24/h1-8,10,15-16,29H,9,11-14H2,(H,30,31)
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| InChIKey |
NSYUCGKTZVAHSF-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