General Information of the Compound
| Compound ID |
CP0463828
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| Compound Name |
2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenoxy]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C24H23NO6
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| Molecular Weight |
421.449
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| Canonical SMILES |
CCCc1c(OCc2cccc(Oc3cc(ccn3)C(O)=O)c2)ccc(C(C)=O)c1O
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| InChI |
InChI=1S/C24H23NO6/c1-3-5-20-21(9-8-19(15(2)26)23(20)27)30-14-16-6-4-7-18(12-16)31-22-13-17(24(28)29)10-11-25-22/h4,6-13,27H,3,5,14H2,1-2H3,(H,28,29)
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| InChIKey |
GQWHBTWXIOOKRT-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2