General Information of the Compound
| Compound ID |
CP0546254
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| Compound Name |
US9079902, 25
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| Structure |
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| Formula |
C20H14F3N7O2S2
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| Molecular Weight |
505.507
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1c[nH]c2nc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F3N7O2S2/c1-30-16(6-7-26-30)14-8-11(20(21,22)23)2-3-12(14)15-9-24-18-13(15)4-5-17(28-18)34(31,32)29-19-25-10-27-33-19/h2-10H,1H3,(H,24,28)(H,25,27,29)
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| InChIKey |
GEYNDDQMIPWMAY-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