General Information of the Compound
| Compound ID |
CP0449591
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| Compound Name |
2-[2-(oxan-4-yl)ethyl]-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C24H25F3N2O4
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| Molecular Weight |
462.468
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC3CCOCC3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C24H25F3N2O4/c25-24(26,27)33-18-7-5-17(6-8-18)15-28-22(30)21-19-3-1-2-4-20(19)23(31)29(21)12-9-16-10-13-32-14-11-16/h1-8,16,21H,9-15H2,(H,28,30)
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| InChIKey |
LWAACTJZSQSIBS-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