General Information of the Compound
| Compound ID |
CP0406907
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| Compound Name |
US9346798, 36
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| Structure |
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| Formula |
C20H16N4O3S2
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| Molecular Weight |
424.507
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1cccc2ccccc12
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| InChI |
InChI=1S/C20H16N4O3S2/c25-29(26,23-20-21-13-22-28-20)15-8-9-18-19(12-15)27-11-10-24(18)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12-13H,10-11H2,(H,21,22,23)
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| InChIKey |
VAXBNOQDKPWVQN-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