General Information of the Compound
| Compound ID |
CP0467510
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| Compound Name |
US9079902, 17
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| Structure |
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| Formula |
C18H12BrF3N4O2S2
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| Molecular Weight |
517.352
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| Canonical SMILES |
Cn1cc(-c2cc(Br)cc(c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H12BrF3N4O2S2/c1-26-8-15(10-4-11(18(20,21)22)6-12(19)5-10)14-3-2-13(7-16(14)26)30(27,28)25-17-23-9-24-29-17/h2-9H,1H3,(H,23,24,25)
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| InChIKey |
OYFWEYSSICIJSQ-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