General Information of the Compound
| Compound ID |
CP0378684
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| Compound Name |
(S)-3-(3-((E)-1-(3-Chlorobenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoicAcid
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| Structure |
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| Formula |
C20H22ClNO4
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| Molecular Weight |
375.852
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| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-6-4-8-17(10-15)14(2)22-26-13-16-7-5-9-18(21)11-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
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| InChIKey |
WZMUCGPKYXXIFS-KWJZBXMYSA-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