General Information of the Compound
| Compound ID |
CP0435052
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| Compound Name |
US9079902, 2
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| Structure |
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| Formula |
C21H17ClN6O2S2
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| Molecular Weight |
484.994
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| Canonical SMILES |
Cn1nccc1-c1cc(Cl)ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H17ClN6O2S2/c1-27-11-18(15-5-3-13(22)9-17(15)19-7-8-24-28(19)2)16-6-4-14(10-20(16)27)32(29,30)26-21-23-12-25-31-21/h3-12H,1-2H3,(H,23,25,26)
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| InChIKey |
VNGPUXDFCYCCNK-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