General Information of the Compound
| Compound ID |
CP0538368
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| Compound Name |
2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C33H39N3O7
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| Molecular Weight |
589.689
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| Canonical SMILES |
COc1cc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C33H39N3O7/c1-22-10-12-24(13-11-22)21-36-32(39)35(20-25-18-27(40-4)30(42-6)28(19-25)41-5)29(34-36)9-7-8-23-14-16-26(17-15-23)43-33(2,3)31(37)38/h10-19H,7-9,20-21H2,1-6H3,(H,37,38)
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| InChIKey |
ODJNFVZOGFOZSK-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