General Information of the Compound
| Compound ID |
CP0387053
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| Compound Name |
4-oxo-N-(4-propan-2-ylphenyl)-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C19H18N2O2
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| Molecular Weight |
306.365
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C19H18N2O2/c1-12(2)13-7-9-14(10-8-13)21-19(23)16-11-20-17-6-4-3-5-15(17)18(16)22/h3-12H,1-2H3,(H,20,22)(H,21,23)
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| InChIKey |
LMUSXECLHXJHAE-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