General Information of the Compound
| Compound ID |
CP0406906
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| Compound Name |
US9346798, 30
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| Structure |
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| Formula |
C16H14N4O3S2
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| Molecular Weight |
374.447
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C16H14N4O3S2/c21-25(22,19-16-17-11-18-24-16)13-6-7-14-15(10-13)23-9-8-20(14)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,17,18,19)
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| InChIKey |
ZETMOAGOQXDKOL-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