General Information of the Compound
| Compound ID |
CP0462922
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| Compound Name |
3-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C21H18F6N2O4
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| Molecular Weight |
476.373
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| Canonical SMILES |
FC(F)(F)COCCN1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H18F6N2O4/c22-20(23,24)12-32-10-9-29-17(15-3-1-2-4-16(15)19(29)31)18(30)28-11-13-5-7-14(8-6-13)33-21(25,26)27/h1-8,17H,9-12H2,(H,28,30)
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| InChIKey |
WRMHMOIOLJMNFH-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