General Information of the Compound
| Compound ID |
CP0462921
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| Compound Name |
2-(2-methyl-2-pyridin-2-ylpropyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C26H24F3N3O3
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| Molecular Weight |
483.49
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| Canonical SMILES |
CC(C)(CN1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O)c1ccccn1
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| InChI |
InChI=1S/C26H24F3N3O3/c1-25(2,21-9-5-6-14-30-21)16-32-22(19-7-3-4-8-20(19)24(32)34)23(33)31-15-17-10-12-18(13-11-17)35-26(27,28)29/h3-14,22H,15-16H2,1-2H3,(H,31,33)
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| InChIKey |
UFLHOUABHDPNNS-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