General Information of the Compound
| Compound ID |
CP0559426
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| Compound Name |
methyl 2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
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| Structure |
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| Formula |
C16H23NO3
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| Molecular Weight |
277.364
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C1CC(C)C)C(=O)CCC2
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| InChI |
InChI=1S/C16H23NO3/c1-9(2)8-11-14(16(19)20-4)10(3)17-12-6-5-7-13(18)15(11)12/h9,11,17H,5-8H2,1-4H3
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| InChIKey |
JMNKFMDIAVIBQY-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