General Information of the Compound
| Compound ID |
CP0543875
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| Compound Name |
4-(4-methylphenyl)-2-oxo-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
CC(C)C1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1
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| InChI |
InChI=1S/C20H22N2O/c1-12(2)15-5-4-6-16-18(14-9-7-13(3)8-10-14)17(11-21)20(23)22-19(15)16/h7-10,12,15H,4-6H2,1-3H3,(H,22,23)
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| InChIKey |
CKAHEAGCVRTHMX-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