General Information of the Compound
| Compound ID |
CP0519882
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| Compound Name |
US9051311, 15
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| Structure |
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| Formula |
C22H19F3N6O2S2
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| Molecular Weight |
520.562
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N6O2S2/c1-30-11-15(10-27-30)20-9-16(22(23,24)25)5-6-19(20)18-4-2-3-14-12-31(8-7-17(14)18)35(32,33)29-21-26-13-28-34-21/h2-6,9-11,13H,7-8,12H2,1H3,(H,26,28,29)
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| InChIKey |
BGYNZTFWBOFPBC-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