General Information of the Compound
| Compound ID |
CP0545746
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| Compound Name |
US9079902, 7
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| Structure |
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| Formula |
C22H17F3N6O4S3
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| Molecular Weight |
582.611
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1cn(c2cc(ccc12)S(=O)(=O)Nc1ncns1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C22H17F3N6O4S3/c1-30-19(7-8-27-30)17-9-13(22(23,24)25)3-5-15(17)18-11-31(37(2,32)33)20-10-14(4-6-16(18)20)38(34,35)29-21-26-12-28-36-21/h3-12H,1-2H3,(H,26,28,29)
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| InChIKey |
XRXYWZPVAZVGDB-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