General Information of the Compound
| Compound ID |
CP0158702
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| Compound Name |
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-piperidin-1-yl-1H-pyridin-2-one
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| Structure |
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| Formula |
C22H30N2O
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| Molecular Weight |
338.495
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(N2CCCCC2)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C22H30N2O/c1-5-19-17(4)23-22(25)21(24-9-7-6-8-10-24)20(19)14-18-12-15(2)11-16(3)13-18/h11-13H,5-10,14H2,1-4H3,(H,23,25)
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| InChIKey |
ZIBGWUFZCISYDF-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