General Information of the Compound
| Compound ID |
CP0431825
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| Compound Name |
N-[[6-(difluoromethoxy)pyridin-3-yl]methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H20F2N4O3
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| Molecular Weight |
438.434
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| Canonical SMILES |
FC(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
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| InChI |
InChI=1S/C23H20F2N4O3/c24-23(25)32-19-9-8-15(13-27-19)14-28-21(30)20-17-6-1-2-7-18(17)22(31)29(20)12-10-16-5-3-4-11-26-16/h1-9,11,13,20,23H,10,12,14H2,(H,28,30)
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| InChIKey |
OUYULONQGHHEEU-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha