General Information of the Compound
| Compound ID |
CP0561758
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| Compound Name |
3-(4-(Difluoromethyl)phenyl)-5-fluoro-1-methyl-N-(methylsulfonyl)-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C18H15F3N2O3S
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| Molecular Weight |
396.39
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| Canonical SMILES |
Cn1cc(-c2ccc(cc2)C(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C18H15F3N2O3S/c1-23-9-14(10-3-5-11(6-4-10)17(20)21)12-7-15(19)13(8-16(12)23)18(24)22-27(2,25)26/h3-9,17H,1-2H3,(H,22,24)
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| InChIKey |
XLKUKOXKOULLDW-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