General Information of the Compound
| Compound ID |
CP0446538
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| Compound Name |
1-butyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H26N6O
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| Molecular Weight |
366.469
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| Canonical SMILES |
CCCCn1ccc(N2CCN(CC2)c2nc(C)cc(C)n2)c(C#N)c1=O
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| InChI |
InChI=1S/C20H26N6O/c1-4-5-7-25-8-6-18(17(14-21)19(25)27)24-9-11-26(12-10-24)20-22-15(2)13-16(3)23-20/h6,8,13H,4-5,7,9-12H2,1-3H3
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| InChIKey |
OLOQLIWDGDPVOI-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