General Information of the Compound
| Compound ID |
CP0567248
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O
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| InChI |
InChI=1S/C22H28N4O/c1-18(2)8-10-26-11-9-21(20(16-23)22(26)27)25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-7,9,11,18H,8,10,12-15,17H2,1-2H3
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| InChIKey |
BUGHISOIHFLLOQ-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