General Information of the Compound
| Compound ID |
CP0032962
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| Compound Name |
2-(oxan-4-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C22H21F3N2O4
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| Molecular Weight |
434.414
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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| InChIKey |
ICGMZCVSHDKQTE-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: PT04404, Sodium channel protein type 9 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha