General Information of the Compound
| Compound ID |
CP0405006
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| Compound Name |
2-(4,4-difluorocyclohexyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H21F5N2O3
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| Molecular Weight |
468.422
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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| InChIKey |
WUWWZGBSJORNNV-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT04404, Sodium channel protein type 9 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha