General Information of the Compound
| Compound ID |
CP0466980
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| Compound Name |
6-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenoxy]pyridine-3-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(OCc2ccc(Oc3ccc(cn3)C(O)=O)cc2)ccc(C(C)=O)c1O
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| InChI |
InChI=1S/C24H23NO6/c1-3-4-20-21(11-10-19(15(2)26)23(20)27)30-14-16-5-8-18(9-6-16)31-22-12-7-17(13-25-22)24(28)29/h5-13,27H,3-4,14H2,1-2H3,(H,28,29)
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| InChIKey |
FZEPVWHNXIQZFG-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