General Information of the Compound
| Compound ID |
CP0429527
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| Compound Name |
3-oxo-2-(2-pyrazin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H19F3N4O3
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| Molecular Weight |
456.424
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cnccn3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H19F3N4O3/c24-23(25,26)33-17-7-5-15(6-8-17)13-29-21(31)20-18-3-1-2-4-19(18)22(32)30(20)12-9-16-14-27-10-11-28-16/h1-8,10-11,14,20H,9,12-13H2,(H,29,31)
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| InChIKey |
HXQGZVNOPUKCCC-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