General Information of the Compound
| Compound ID |
CP0519231
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| Compound Name |
US9346798, 64
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| Structure |
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| Formula |
C17H13BrN6O3S2
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| Molecular Weight |
493.368
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| Canonical SMILES |
Brc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)N=[N+]=[N-]
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| InChI |
InChI=1S/C17H13BrN6O3S2/c18-13-9-11(21-23-19)1-3-14(13)24-6-7-27-16-10-12(2-4-15(16)24)29(25,26)22-17-20-5-8-28-17/h1-5,8-10H,6-7H2,(H,20,22)
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| InChIKey |
KSKVPCKKKJJWTF-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