General Information of the Compound
| Compound ID |
CP0449387
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| Compound Name |
2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic acid diethyl ester
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| Structure |
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| Formula |
C19H21NO4
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| Molecular Weight |
327.38
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| Canonical SMILES |
CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
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| InChI |
InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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| InChIKey |
FFBUJODBLJEOGU-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