General Information of the Compound
| Compound ID |
CP0441380
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| Compound Name |
2-[3-[2-[2-(4-tert-Butylphenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yloxy]-2-methylpropionic acid
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| Structure |
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| Formula |
C29H34N2O5
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| Molecular Weight |
490.6
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| Canonical SMILES |
CC(C)c1oc(nc1CCc1noc2cc(OC(C)(C)C(O)=O)ccc12)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H34N2O5/c1-17(2)25-23(30-26(34-25)18-8-10-19(11-9-18)28(3,4)5)15-14-22-21-13-12-20(16-24(21)36-31-22)35-29(6,7)27(32)33/h8-13,16-17H,14-15H2,1-7H3,(H,32,33)
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| InChIKey |
MIGZFASXXKNXJR-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma