General Information of the Compound
| Compound ID |
CP0501324
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| Compound Name |
(S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)phenyl)ethyl)((3-methoxyphenoxy)carbonyl)amino)acetic acid
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| Structure |
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| Formula |
C28H25ClN2O7
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| Molecular Weight |
536.968
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| Canonical SMILES |
COc1cccc(OC(=O)N(CC(O)=O)[C@@H](C)c2cccc(OCc3coc(n3)-c3ccc(Cl)cc3)c2)c1
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| InChI |
InChI=1S/C28H25ClN2O7/c1-18(31(15-26(32)33)28(34)38-25-8-4-6-23(14-25)35-2)20-5-3-7-24(13-20)36-16-22-17-37-27(30-22)19-9-11-21(29)12-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,32,33)/t18-/m0/s1
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| InChIKey |
LLVFTRQDBJZWHC-SFHVURJKSA-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