General Information of the Compound
| Compound ID |
CP0379741
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| Compound Name |
US9346798, 218
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| Structure |
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| Formula |
C19H12F4N4O3S2
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| Molecular Weight |
484.456
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| Canonical SMILES |
Fc1cc(cc2OCCN(c3ccc(cc3C#N)C(F)(F)F)c12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H12F4N4O3S2/c20-14-8-13(32(28,29)26-18-25-3-6-31-18)9-16-17(14)27(4-5-30-16)15-2-1-12(19(21,22)23)7-11(15)10-24/h1-3,6-9H,4-5H2,(H,25,26)
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| InChIKey |
UZISDSQSQIPNGM-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