General Information of the Compound
| Compound ID |
CP0381629
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| Compound Name |
2-[2-(5-fluoropyridin-2-yl)ethyl]-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C24H19F4N3O3
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| Molecular Weight |
473.426
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| Canonical SMILES |
Fc1ccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1
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| InChI |
InChI=1S/C24H19F4N3O3/c25-16-7-8-17(29-14-16)11-12-31-21(19-3-1-2-4-20(19)23(31)33)22(32)30-13-15-5-9-18(10-6-15)34-24(26,27)28/h1-10,14,21H,11-13H2,(H,30,32)
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| InChIKey |
BTTKDIOGEICZEV-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