General Information of the Compound
| Compound ID |
CP0449612
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| Compound Name |
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[6-(3,3,3-trifluoropropoxy)pyridin-3-yl]methyl]-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C25H23F3N4O3
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| Molecular Weight |
484.478
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| Canonical SMILES |
FC(F)(F)CCOc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
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| InChI |
InChI=1S/C25H23F3N4O3/c26-25(27,28)11-14-35-21-9-8-17(15-30-21)16-31-23(33)22-19-6-1-2-7-20(19)24(34)32(22)13-10-18-5-3-4-12-29-18/h1-9,12,15,22H,10-11,13-14,16H2,(H,31,33)
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| InChIKey |
CLTDPAFURBFXKB-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha