General Information of the Compound
| Compound ID |
CP0561474
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| Compound Name |
US9012443, 319
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| Structure |
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| Formula |
C20H13F4N3O3S2
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| Molecular Weight |
483.468
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| Canonical SMILES |
COc1cc(ccc1-c1ccnc2cc(c(F)cc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F4N3O3S2/c1-30-17-8-11(20(22,23)24)2-3-13(17)12-4-5-25-16-10-18(15(21)9-14(12)16)32(28,29)27-19-26-6-7-31-19/h2-10H,1H3,(H,26,27)
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| InChIKey |
QGDXUKSKFRFPBU-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