General Information of the Compound
| Compound ID |
CP0404999
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| Compound Name |
3-oxo-2-(2-pyridin-2-ylethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C26H24F3N3O3
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| Molecular Weight |
483.49
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| Canonical SMILES |
CC(NC(=O)C1N(CCc2ccccn2)C(=O)c2ccccc12)c1ccc(OCC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H24F3N3O3/c1-17(18-9-11-20(12-10-18)35-16-26(27,28)29)31-24(33)23-21-7-2-3-8-22(21)25(34)32(23)15-13-19-6-4-5-14-30-19/h2-12,14,17,23H,13,15-16H2,1H3,(H,31,33)
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| InChIKey |
RJNKNDSSHJFMOQ-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