General Information of the Compound
| Compound ID |
CP0389306
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| Compound Name |
N-[2-(2-methoxypyridin-3-yl)-3-(trifluoromethyl)phenyl]-3-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C25H18F3N3O2
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| Molecular Weight |
449.432
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| Canonical SMILES |
COc1ncccc1-c1c(NC(=O)c2cccc(c2)-c2ccccn2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C25H18F3N3O2/c1-33-24-18(9-6-14-30-24)22-19(25(26,27)28)10-5-12-21(22)31-23(32)17-8-4-7-16(15-17)20-11-2-3-13-29-20/h2-15H,1H3,(H,31,32)
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| InChIKey |
YERWQIGIPLROEU-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