General Information of the Compound
| Compound ID |
CP0366054
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| Compound Name |
2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
NC(=O)c1cccc2CN(CC3CCN(Cc4ccccc4)CC3)C(=O)c12
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| InChI |
InChI=1S/C22H25N3O2/c23-21(26)19-8-4-7-18-15-25(22(27)20(18)19)14-17-9-11-24(12-10-17)13-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,23,26)
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| InChIKey |
SBMWFEAZZKPUOY-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