General Information of the Compound
| Compound ID |
CP0432418
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| Compound Name |
3-ethoxy-3-[4-[(2-methylpyridin-3-yl)methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C18H21NO4
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| Molecular Weight |
315.369
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2cccnc2C)cc1
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| InChI |
InChI=1S/C18H21NO4/c1-3-22-17(11-18(20)21)14-6-8-16(9-7-14)23-12-15-5-4-10-19-13(15)2/h4-10,17H,3,11-12H2,1-2H3,(H,20,21)
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| InChIKey |
LJYPYDPYCQFUMY-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