General Information of the Compound
| Compound ID |
CP0561482
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| Compound Name |
US9012443, 326
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| Structure |
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| Formula |
C21H16F3N3O3S2
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| Molecular Weight |
479.505
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| Canonical SMILES |
COc1cc(ccc1-c1ccnc2cc(c(C)cc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N3O3S2/c1-12-9-16-14(15-4-3-13(21(22,23)24)10-18(15)30-2)5-6-25-17(16)11-19(12)32(28,29)27-20-26-7-8-31-20/h3-11H,1-2H3,(H,26,27)
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| InChIKey |
WVJKDMPACGWVKV-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