General Information of the Compound
| Compound ID |
CP0533512
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| Compound Name |
3-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1-methyl-N-methylsulfonylindole-6-carboxamide
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| Structure |
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| Formula |
C18H15ClF3N3O4S
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| Molecular Weight |
461.849
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| Canonical SMILES |
Cn1cc(-c2cnc(OCC(F)(F)F)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C18H15ClF3N3O4S/c1-25-8-13(11-5-14(19)17(23-7-11)29-9-18(20,21)22)12-4-3-10(6-15(12)25)16(26)24-30(2,27)28/h3-8H,9H2,1-2H3,(H,24,26)
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| InChIKey |
XRNUGWWPCXDLQH-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