General Information of the Compound
| Compound ID |
CP0463580
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| Compound Name |
1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
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| InChI |
InChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3
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| InChIKey |
GSVFLIVBVQPBLW-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