General Information of the Compound
| Compound ID |
CP0450938
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| Compound Name |
2-[4-[3-[4-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C31H35N3O5
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| Molecular Weight |
529.637
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| Canonical SMILES |
COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc1
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| InChI |
InChI=1S/C31H35N3O5/c1-22-8-10-25(11-9-22)21-34-30(37)33(20-24-14-16-26(38-4)17-15-24)28(32-34)7-5-6-23-12-18-27(19-13-23)39-31(2,3)29(35)36/h8-19H,5-7,20-21H2,1-4H3,(H,35,36)
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| InChIKey |
YAUJWAYNDLEEDU-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma