General Information of the Compound
| Compound ID |
CP0537336
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| Compound Name |
ethyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
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| Structure |
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| Formula |
C20H25NO6
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| Molecular Weight |
375.421
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| Canonical SMILES |
CCCCc1[nH]c(=O)c(C(=O)OCC)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C20H25NO6/c1-5-7-9-12-15(16-13(25-3)10-8-11-14(16)26-4)18(22)17(19(23)21-12)20(24)27-6-2/h8,10-11H,5-7,9H2,1-4H3,(H2,21,22,23)
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| InChIKey |
XRLABGSRYMWXES-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
Protein ID: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor