General Information of the Compound
| Compound ID |
CP0048249
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| Compound Name |
4-[4-(2-chloro-5-pyridin-3-yloxyphenyl)phenoxy]butanoic acid
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| Structure |
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| Formula |
C21H18ClNO4
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| Molecular Weight |
383.831
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| Canonical SMILES |
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2cccnc2)ccc1Cl
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| InChI |
InChI=1S/C21H18ClNO4/c22-20-10-9-17(27-18-3-1-11-23-14-18)13-19(20)15-5-7-16(8-6-15)26-12-2-4-21(24)25/h1,3,5-11,13-14H,2,4,12H2,(H,24,25)
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| InChIKey |
QIENYTMYNPLRHW-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4