General Information of the Compound
| Compound ID |
CP0376052
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| Compound Name |
2-(3-(2-(2-(2,4-dichlorophenyl)-5-isopropyloxazol-4-yl)ethyl)-5-methylbenzo[d]isoxazol-6-yloxy)acetic acid
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| Structure |
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| Formula |
C24H22Cl2N2O5
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| Molecular Weight |
489.355
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| Canonical SMILES |
CC(C)c1oc(nc1CCc1noc2cc(OCC(O)=O)c(C)cc12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H22Cl2N2O5/c1-12(2)23-19(27-24(32-23)15-5-4-14(25)9-17(15)26)7-6-18-16-8-13(3)20(31-11-22(29)30)10-21(16)33-28-18/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,29,30)
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| InChIKey |
JDTVEJCQPMSSOE-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