General Information of the Compound
| Compound ID |
CP0516827
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| Compound Name |
US9012443, 507
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| Structure |
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| Formula |
C18H12ClFN4O4S2
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| Molecular Weight |
466.903
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1ncc(F)s1
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| InChI |
InChI=1S/C18H12ClFN4O4S2/c1-28-14-5-2-9(19)6-13(14)16-11-4-3-10(7-12(11)17(25)23-22-16)30(26,27)24-18-21-8-15(20)29-18/h2-8H,1H3,(H,21,24)(H,23,25)
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| InChIKey |
TVZIDQJDJPVINM-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