General Information of the Compound
| Compound ID |
CP0381635
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| Compound Name |
N-[(4-bromophenyl)methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C23H20BrN3O2
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| Molecular Weight |
450.336
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| Canonical SMILES |
Brc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H20BrN3O2/c24-17-10-8-16(9-11-17)15-26-22(28)21-19-6-1-2-7-20(19)23(29)27(21)14-12-18-5-3-4-13-25-18/h1-11,13,21H,12,14-15H2,(H,26,28)
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| InChIKey |
BKVFCMNILFLKCW-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