General Information of the Compound
| Compound ID |
CP0450937
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| Compound Name |
2-[4-[3-[1-[(4-ethenylphenyl)methyl]-4-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methylpropanoic acid
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
Cc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C=C)cc3)c2=O)cc1
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| InChI |
InChI=1S/C32H35N3O4/c1-5-24-13-15-27(16-14-24)22-35-31(38)34(21-26-11-9-23(2)10-12-26)29(33-35)8-6-7-25-17-19-28(20-18-25)39-32(3,4)30(36)37/h5,9-20H,1,6-8,21-22H2,2-4H3,(H,36,37)
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| InChIKey |
RDLCIGKZXCHMHB-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