General Information of the Compound
| Compound ID |
CP0406429
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| Compound Name |
US8952169, 49
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| Structure |
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| Formula |
C24H32FNO5S
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| Molecular Weight |
465.587
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| Canonical SMILES |
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
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| InChI |
InChI=1S/C24H32FNO5S/c1-30-4-5-32(28,29)26-23(27)20-9-19(18-2-3-18)22(10-21(20)25)31-14-24-11-15-6-16(12-24)8-17(7-15)13-24/h9-10,15-18H,2-8,11-14H2,1H3,(H,26,27)
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| InChIKey |
AADZPNRBAZVGNN-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