General Information of the Compound
| Compound ID |
CP0465557
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| Compound Name |
US9346798, 31
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| Structure |
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| Formula |
C18H12F3N5O3S2
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| Molecular Weight |
467.454
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)C#N
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| InChI |
InChI=1S/C18H12F3N5O3S2/c19-18(20,21)12-1-3-14(11(7-12)9-22)26-5-6-29-16-8-13(2-4-15(16)26)31(27,28)25-17-23-10-24-30-17/h1-4,7-8,10H,5-6H2,(H,23,24,25)
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| InChIKey |
WVZIXWYXPAZXFV-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