General Information of the Compound
| Compound ID |
CP0547686
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| Compound Name |
US9346798, 87
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| Structure |
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| Formula |
C24H22F3N5O3S
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| Molecular Weight |
517.533
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cccnn2)c(c1)C1=CCNCC1
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| InChI |
InChI=1S/C24H22F3N5O3S/c25-24(26,27)17-3-5-20(19(14-17)16-7-10-28-11-8-16)32-12-13-35-22-15-18(4-6-21(22)32)36(33,34)31-23-2-1-9-29-30-23/h1-7,9,14-15,28H,8,10-13H2,(H,30,31)
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| InChIKey |
MDUMLNKWTWMUSR-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