General Information of the Compound
| Compound ID |
CP0385065
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| Compound Name |
US9012443, 38
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| Structure |
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| Formula |
C19H12F3N3O3S2
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| Molecular Weight |
451.451
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| Canonical SMILES |
Oc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C19H12F3N3O3S2/c20-19(21,22)12-4-6-16(17(26)9-12)15-3-1-2-11-8-13(5-7-14(11)15)30(27,28)25-18-23-10-24-29-18/h1-10,26H,(H,23,24,25)
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| InChIKey |
QMVCLINXNJGGFP-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