General Information of the Compound
| Compound ID |
CP0381634
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| Compound Name |
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C24H21F3N4O3
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| Molecular Weight |
470.451
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| Canonical SMILES |
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
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| InChI |
InChI=1S/C24H21F3N4O3/c25-24(26,27)15-34-20-9-8-16(13-29-20)14-30-22(32)21-18-6-1-2-7-19(18)23(33)31(21)12-10-17-5-3-4-11-28-17/h1-9,11,13,21H,10,12,14-15H2,(H,30,32)
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| InChIKey |
UQCPFMDHAKQEAO-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