General Information of the Compound
| Compound ID |
CP0531240
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| Compound Name |
US8952169, 198
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| Structure |
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| Formula |
C22H25F4NO4S
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| Molecular Weight |
475.504
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F
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| InChI |
InChI=1S/C22H25F4NO4S/c1-32(29,30)27-18(28)15-4-14(13-2-3-13)17(5-16(15)23)31-12-19-6-20(24)9-21(25,7-19)11-22(26,8-19)10-20/h4-5,13H,2-3,6-12H2,1H3,(H,27,28)
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| InChIKey |
BGZNJEGXERCGGC-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