General Information of the Compound
| Compound ID |
CP0496446
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| Compound Name |
2-methyl-2-[4-[2-[4-[(4-propan-2-ylphenyl)diazenyl]phenoxy]ethyl]phenoxy]propanoic acid
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| Formula |
C27H30N2O4
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| Molecular Weight |
446.547
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| Canonical SMILES |
CC(C)c1ccc(cc1)\N=N/c1ccc(OCCc2ccc(OC(C)(C)C(O)=O)cc2)cc1
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| InChI |
InChI=1S/C27H30N2O4/c1-19(2)21-7-9-22(10-8-21)28-29-23-11-15-24(16-12-23)32-18-17-20-5-13-25(14-6-20)33-27(3,4)26(30)31/h5-16,19H,17-18H2,1-4H3,(H,30,31)/b29-28-
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| InChIKey |
UNSPUYCQJAYVEX-ZIADKAODSA-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