General Information of the Compound
| Compound ID |
CP0490219
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| Compound Name |
US9346798, 50
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| Structure |
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| Formula |
C23H24F3N5O3S2
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| Molecular Weight |
539.605
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| Canonical SMILES |
CN1CCN(CC1)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5O3S2/c1-29-7-9-30(10-8-29)20-14-16(23(24,25)26)2-4-18(20)31-11-12-34-21-15-17(3-5-19(21)31)36(32,33)28-22-27-6-13-35-22/h2-6,13-15H,7-12H2,1H3,(H,27,28)
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| InChIKey |
NDLBOYOWPCRMAR-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