General Information of the Compound
| Compound ID |
CP0418354
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| Compound Name |
US9346798, 44
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| Structure |
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| Formula |
C24H23F3N4O3S2
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| Molecular Weight |
536.601
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| Canonical SMILES |
CN1CCC(=CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N4O3S2/c1-30-9-6-16(7-10-30)19-14-17(24(25,26)27)2-4-20(19)31-11-12-34-22-15-18(3-5-21(22)31)36(32,33)29-23-28-8-13-35-23/h2-6,8,13-15H,7,9-12H2,1H3,(H,28,29)
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| InChIKey |
VAWHXLPBDJNIOI-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