General Information of the Compound
| Compound ID |
CP0547163
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| Compound Name |
US9079902, 50
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| Structure |
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| Formula |
C22H16BrF3N6O2S2
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| Molecular Weight |
597.442
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| Canonical SMILES |
Cn1cc(-c2ccc(cc2-c2ccnn2C)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1nc(Br)ns1
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| InChI |
InChI=1S/C22H16BrF3N6O2S2/c1-31-11-17(14-5-3-12(22(24,25)26)9-16(14)18-7-8-27-32(18)2)15-6-4-13(10-19(15)31)36(33,34)30-21-28-20(23)29-35-21/h3-11H,1-2H3,(H,28,29,30)
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| InChIKey |
HTBDGJFTGYPMKC-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