General Information of the Compound
| Compound ID |
CP0482215
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| Compound Name |
2-[3-[2-[2-(2-Chlorophenyl)-5-hexyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yloxy]-2-methylpropionic acid
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| Structure |
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| Formula |
C28H31ClN2O5
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| Molecular Weight |
511.018
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| Canonical SMILES |
CCCCCCc1oc(nc1CCc1noc2cc(OC(C)(C)C(O)=O)ccc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H31ClN2O5/c1-4-5-6-7-12-24-23(30-26(34-24)19-10-8-9-11-21(19)29)16-15-22-20-14-13-18(17-25(20)36-31-22)35-28(2,3)27(32)33/h8-11,13-14,17H,4-7,12,15-16H2,1-3H3,(H,32,33)
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| InChIKey |
PZNVHYMAMHJHPX-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