General Information of the Compound
| Compound ID |
CP0402264
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| Compound Name |
(S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)phenyl)ethyl)((4-fluoro-3-methoxyphenoxy)carbonyl)amino)acetic acid
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| Structure |
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| Formula |
C28H24ClFN2O7
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| Molecular Weight |
554.958
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| Canonical SMILES |
COc1cc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)ccc1F
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| InChI |
InChI=1S/C28H24ClFN2O7/c1-17(32(14-26(33)34)28(35)39-23-10-11-24(30)25(13-23)36-2)19-4-3-5-22(12-19)37-15-21-16-38-27(31-21)18-6-8-20(29)9-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,33,34)/t17-/m0/s1
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| InChIKey |
TWMQFZUKMKLRTL-KRWDZBQOSA-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