General Information of the Compound
| Compound ID |
CP0453140
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| Compound Name |
2-[(3,3-difluorocyclobutyl)methyl]-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C22H19F5N2O3
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| Molecular Weight |
454.395
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC3CC(F)(F)C3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C22H19F5N2O3/c23-21(24)9-14(10-21)12-29-18(16-3-1-2-4-17(16)20(29)31)19(30)28-11-13-5-7-15(8-6-13)32-22(25,26)27/h1-8,14,18H,9-12H2,(H,28,30)
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| InChIKey |
AQAVDXGUHCVGJN-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