General Information of the Compound
| Compound ID |
CP0531296
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| Compound Name |
ethyl 2-(4-ethoxyphenyl)pyridine-4-carboxylate
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| Formula |
C16H17NO3
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| Molecular Weight |
271.316
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| Canonical SMILES |
CCOC(=O)c1ccnc(c1)-c1ccc(OCC)cc1
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| InChI |
InChI=1S/C16H17NO3/c1-3-19-14-7-5-12(6-8-14)15-11-13(9-10-17-15)16(18)20-4-2/h5-11H,3-4H2,1-2H3
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| InChIKey |
KPLGHLBFCKVYMS-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