General Information of the Compound
Compound ID |
CP0468437
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Compound Name |
US8952169, 281
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Structure |
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Formula |
C23H32N2O5S
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Molecular Weight |
448.585
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Canonical SMILES |
COCCS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1
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InChI |
InChI=1S/C23H32N2O5S/c1-29-4-5-31(27,28)25-21(26)19-9-20(18-2-3-18)22(24-13-19)30-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h9,13,15-18H,2-8,10-12,14H2,1H3,(H,25,26)
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InChIKey |
CZEOXEPOGLVDMI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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