General Information of the Compound
| Compound ID |
CP0449607
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| Compound Name |
2-[2-(5-fluoropyrimidin-2-yl)ethyl]-3-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H18F4N4O3
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| Molecular Weight |
474.414
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| Canonical SMILES |
Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1
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| InChI |
InChI=1S/C23H18F4N4O3/c24-15-12-28-19(29-13-15)8-9-31-20(17-6-1-2-7-18(17)22(31)33)21(32)30-11-14-4-3-5-16(10-14)34-23(25,26)27/h1-7,10,12-13,20H,8-9,11H2,(H,30,32)
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| InChIKey |
FLMWTINNGMAPSE-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha