General Information of the Compound
| Compound ID |
CP0518595
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| Compound Name |
US9012443, 531
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| Structure |
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| Formula |
C23H15F2N5O3S2
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| Molecular Weight |
511.535
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| Canonical SMILES |
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nncs1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C23H15F2N5O3S2/c1-33-21-8-13(14-6-15(24)9-16(25)7-14)2-4-19(21)22-18-5-3-17(10-20(18)26-11-27-22)35(31,32)30-23-29-28-12-34-23/h2-12H,1H3,(H,29,30)
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| InChIKey |
HYYBWTFTRGQGEK-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