General Information of the Compound
| Compound ID |
CP0035145
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| Compound Name |
2-(4-(3-((4-methoxy-2-methylbenzamido)methyl)phenoxy)-2-methylphenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H29NO6
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| Molecular Weight |
463.53
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| Canonical SMILES |
COc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(O)=O)c(C)c3)c2)c(C)c1
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| InChI |
InChI=1S/C27H29NO6/c1-17-13-20(32-5)9-11-23(17)25(29)28-16-19-7-6-8-21(15-19)33-22-10-12-24(18(2)14-22)34-27(3,4)26(30)31/h6-15H,16H2,1-5H3,(H,28,29)(H,30,31)
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| InChIKey |
JXSFJFACNMJREK-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma