General Information of the Compound
| Compound ID |
CP0402877
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| Compound Name |
3-[3-(difluoromethyl)pyridin-2-yl]-N-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C25H16F5N3O
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| Molecular Weight |
469.413
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| Canonical SMILES |
FC(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ccccn1)C(F)(F)F
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| InChI |
InChI=1S/C25H16F5N3O/c26-23(27)17-8-5-13-32-22(17)15-6-3-7-16(14-15)24(34)33-20-11-4-9-18(25(28,29)30)21(20)19-10-1-2-12-31-19/h1-14,23H,(H,33,34)
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| InChIKey |
LEGRQHYTNOZRDA-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