General Information of the Compound
| Compound ID |
CP0399822
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| Compound Name |
2-[[4-methoxy-3-[[[4-(2-phenylethoxy)benzoyl]amino]methyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C28H31NO5
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| Molecular Weight |
461.558
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCCc3ccccc3)cc2)c1)C(O)=O
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| InChI |
InChI=1S/C28H31NO5/c1-3-22(28(31)32)17-21-9-14-26(33-2)24(18-21)19-29-27(30)23-10-12-25(13-11-23)34-16-15-20-7-5-4-6-8-20/h4-14,18,22H,3,15-17,19H2,1-2H3,(H,29,30)(H,31,32)
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| InChIKey |
GFYXAMCIIBYSOS-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