General Information of the Compound
| Compound ID |
CP0449592
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| Compound Name |
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C25H22F3N3O2
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| Molecular Weight |
453.464
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| Canonical SMILES |
FC(F)(F)Cc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C25H22F3N3O2/c26-25(27,28)15-17-8-10-18(11-9-17)16-30-23(32)22-20-6-1-2-7-21(20)24(33)31(22)14-12-19-5-3-4-13-29-19/h1-11,13,22H,12,14-16H2,(H,30,32)
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| InChIKey |
HPSXNGYRKXICLD-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