General Information of the Compound
| Compound ID |
CP0549476
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| Compound Name |
(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(cc1)-c1ccco1)CC(O)=O
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| InChI |
InChI=1S/C28H30N2O4/c1-20(17-27(31)32)7-5-15-34-26-9-4-3-8-24(26)19-30-21(2)18-29-28(30)23-13-11-22(12-14-23)25-10-6-16-33-25/h3-4,6,8-14,16,18,20H,5,7,15,17,19H2,1-2H3,(H,31,32)/t20-/m1/s1
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| InChIKey |
XOFBESNFVYMKTL-HXUWFJFHSA-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