General Information of the Compound
| Compound ID |
CP0449594
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| Compound Name |
N-(3,4-dimethylphenyl)-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
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| Structure |
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
Cc1ccc(NC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1C
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| InChI |
InChI=1S/C24H23N3O2/c1-16-10-11-19(15-17(16)2)26-23(28)22-20-8-3-4-9-21(20)24(29)27(22)14-12-18-7-5-6-13-25-18/h3-11,13,15,22H,12,14H2,1-2H3,(H,26,28)
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| InChIKey |
OMNRGNMKVRPIKA-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