General Information of the Compound
| Compound ID |
CP0481661
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| Compound Name |
1-(3-methylbutyl)-2-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H25N5O
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| Molecular Weight |
351.454
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| Canonical SMILES |
CC(C)CCn1ccc(N2CCN(CC2)c2ccccn2)c(C#N)c1=O
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| InChI |
InChI=1S/C20H25N5O/c1-16(2)6-9-25-10-7-18(17(15-21)20(25)26)23-11-13-24(14-12-23)19-5-3-4-8-22-19/h3-5,7-8,10,16H,6,9,11-14H2,1-2H3
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| InChIKey |
YRWUSEBLZMIHLV-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