General Information of the Compound
| Compound ID |
CP0087786
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| Compound Name |
1-methyl-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-1-carboxamide
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| Structure |
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| Formula |
C25H22F3N3O3
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| Molecular Weight |
469.463
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| Canonical SMILES |
CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H22F3N3O3/c1-24(23(33)30-16-17-9-11-19(12-10-17)34-25(26,27)28)21-8-3-2-7-20(21)22(32)31(24)15-13-18-6-4-5-14-29-18/h2-12,14H,13,15-16H2,1H3,(H,30,33)
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| InChIKey |
LLSVHDOQSGNTLD-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: PT01000, Sodium channel protein type 9 subunit alpha