General Information of the Compound
| Compound ID |
CP0425426
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| Compound Name |
US9079902, 53
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| Structure |
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| Formula |
C20H19N5O2S2
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| Molecular Weight |
425.539
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| Canonical SMILES |
Cn1cc(-c2cccc3CNCCc23)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H19N5O2S2/c1-25-11-18(16-4-2-3-13-10-21-8-7-15(13)16)17-6-5-14(9-19(17)25)29(26,27)24-20-22-12-23-28-20/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)
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| InChIKey |
KWGPACHQZNIKFQ-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