General Information of the Compound
| Compound ID |
CP0412666
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| Compound Name |
US9346798, 33
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| Structure |
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| Formula |
C19H15N5O3S2
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| Molecular Weight |
425.495
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)c1ccc2N(CCOc2c1)c1cccc2ncccc12
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| InChI |
InChI=1S/C19H15N5O3S2/c25-29(26,23-19-21-12-22-28-19)13-6-7-17-18(11-13)27-10-9-24(17)16-5-1-4-15-14(16)3-2-8-20-15/h1-8,11-12H,9-10H2,(H,21,22,23)
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| InChIKey |
ZHRHGJXIFPIJLH-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