General Information of the Compound
| Compound ID |
CP0442949
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| Compound Name |
US9346798, 29
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| Structure |
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| Formula |
C22H17F3N6O3S2
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| Molecular Weight |
534.545
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| Canonical SMILES |
Nc1cc(ccn1)-c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F3N6O3S2/c23-22(24,25)14-1-3-17(16(10-14)13-5-6-27-20(26)9-13)31-7-8-34-19-11-15(2-4-18(19)31)36(32,33)30-21-28-12-29-35-21/h1-6,9-12H,7-8H2,(H2,26,27)(H,28,29,30)
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| InChIKey |
OEIJXNGSQJJFRS-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