General Information of the Compound
| Compound ID |
CP0426470
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| Compound Name |
US9012443, 341
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| Structure |
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| Formula |
C25H16FN5O3S2
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| Molecular Weight |
517.567
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| Canonical SMILES |
COc1cc(-c2cccc(F)c2)c(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nncs1)C#N
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| InChI |
InChI=1S/C25H16FN5O3S2/c1-34-23-12-21(15-3-2-4-18(26)9-15)17(13-27)11-22(23)24-20-6-5-19(10-16(20)7-8-28-24)36(32,33)31-25-30-29-14-35-25/h2-12,14H,1H3,(H,30,31)
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| InChIKey |
WTEDGDIMGZBXLR-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