General Information of the Compound
| Compound ID |
CP0076718
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| Compound Name |
(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
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| Synonyms |
(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
(S)-2-(4-Ethyl-phenoxy)-3-phenyl-propionic acid
BDBM50171895
CHEMBL191060
DB07842
ZINC13671697
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| Structure |
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| Formula |
C17H18O3
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| Molecular Weight |
270.328
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| Canonical SMILES |
CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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| InChIKey |
CJMVTSLLWMPEKQ-INIZCTEOSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Clinical Information about the Compound