General Information of the Compound
| Compound ID |
CP0128749
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| Compound Name |
2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C29H28N2O7
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| Molecular Weight |
516.55
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
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| InChI |
InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33)
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| InChIKey |
FFHBRHCAYNKEBM-UHFFFAOYSA-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