General Information of the Compound
| Compound ID |
CP0408630
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| Compound Name |
4-methoxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C25H22F3N3O4
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| Molecular Weight |
485.462
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| Canonical SMILES |
COc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H22F3N3O4/c1-34-20-7-4-6-19-21(20)24(33)31(14-12-17-5-2-3-13-29-17)22(19)23(32)30-15-16-8-10-18(11-9-16)35-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)
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| InChIKey |
DNOVKLUWPXHIRA-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