General Information of the Compound
| Compound ID |
CP0254556
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| Compound Name |
(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
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| Synonyms |
(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
(S)-2-(4-Chloro-phenoxy)-3-phenyl-propionic acid
(S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
BDBM50171897
CHEMBL364748
DB08760
SCHEMBL20553473
ZINC13671687
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| Structure |
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| Formula |
C15H13ClO3
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| Molecular Weight |
276.719
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
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| InChIKey |
CPBLTMSKPQDJPW-AWEZNQCLSA-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