General Information of the Compound
| Compound ID |
CP0482214
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| Compound Name |
2-[3-[2-[5-tert-Butyl-2-(2-chlorophenyl)-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yloxy]-2-methylpropionic acid
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| Structure |
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| Formula |
C26H27ClN2O5
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| Molecular Weight |
482.964
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| Canonical SMILES |
CC(C)(C)c1oc(nc1CCc1noc2cc(OC(C)(C)C(O)=O)ccc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H27ClN2O5/c1-25(2,3)22-20(28-23(32-22)16-8-6-7-9-18(16)27)13-12-19-17-11-10-15(14-21(17)34-29-19)33-26(4,5)24(30)31/h6-11,14H,12-13H2,1-5H3,(H,30,31)
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| InChIKey |
IVLJMWRLXBXCHZ-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