General Information of the Compound
| Compound ID |
CP0421259
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| Compound Name |
2-[4-[3-(3-chlorophenoxy)propoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C18H19ClO5
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| Molecular Weight |
350.798
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| Canonical SMILES |
Cc1cc(OCCCOc2cccc(Cl)c2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C18H19ClO5/c1-13-10-16(6-7-17(13)24-12-18(20)21)23-9-3-8-22-15-5-2-4-14(19)11-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,20,21)
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| InChIKey |
GCPFTBDUNDYKTR-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: PT02793, Free fatty acid receptor 1
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma