General Information of the Compound
| Compound ID |
CP0460601
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| Compound Name |
1-[3-chloro-4-(trifluoromethyl)phenyl]-N-methylsulfonylisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C18H12ClF3N2O3S
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| Molecular Weight |
428.819
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc2c(nccc2c1)-c1ccc(c(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H12ClF3N2O3S/c1-28(26,27)24-17(25)12-2-4-13-10(8-12)6-7-23-16(13)11-3-5-14(15(19)9-11)18(20,21)22/h2-9H,1H3,(H,24,25)
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| InChIKey |
CONXPSOEIRZIBT-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha