General Information of the Compound
| Compound ID |
CP0429507
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| Compound Name |
3-oxo-2-(3-pyridin-2-ylpropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-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 |
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCCc3ccccn3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-12-10-17(11-13-19)16-30-23(32)22-20-8-1-2-9-21(20)24(33)31(22)15-5-7-18-6-3-4-14-29-18/h1-4,6,8-14,22H,5,7,15-16H2,(H,30,32)
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| InChIKey |
GJIRLHHTNZRIPN-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