General Information of the Compound
| Compound ID |
CP0465556
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| Compound Name |
US9346798, 216
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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 |
Fc1c2OCCN(c2ccc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
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| InChI |
InChI=1S/C19H12F4N4O3S2/c20-16-15(32(28,29)26-18-25-5-8-31-18)4-3-14-17(16)30-7-6-27(14)13-2-1-12(19(21,22)23)9-11(13)10-24/h1-5,8-9H,6-7H2,(H,25,26)
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| InChIKey |
USUJTFJOBUIIHB-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