General Information of the Compound
| Compound ID |
CP0418167
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| Compound Name |
US9346798, 42
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| Structure |
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| Formula |
C22H18F3N5O3S2
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| Molecular Weight |
521.546
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N5O3S2/c1-29-17(6-7-27-29)16-12-14(22(23,24)25)2-4-18(16)30-9-10-33-20-13-15(3-5-19(20)30)35(31,32)28-21-26-8-11-34-21/h2-8,11-13H,9-10H2,1H3,(H,26,28)
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| InChIKey |
GMQZYXDZQDEKIQ-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