General Information of the Compound
| Compound ID |
CP0568847
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| Compound Name |
8-butyl-4-(4-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CCCCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1
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| InChI |
InChI=1S/C21H24N2O/c1-3-4-6-16-7-5-8-17-19(15-11-9-14(2)10-12-15)18(13-22)21(24)23-20(16)17/h9-12,16H,3-8H2,1-2H3,(H,23,24)
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| InChIKey |
DMBIWIUHTQCZPM-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