General Information of the Compound
| Compound ID |
CP0459248
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| Compound Name |
2-[3-[2-[2-(2,4-Dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yloxy]-2-methylpropionic acid
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| Structure |
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| Formula |
C25H24Cl2N2O5
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| Molecular Weight |
503.382
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| Canonical SMILES |
CC(C)c1oc(nc1CCc1noc2cc(OC(C)(C)C(O)=O)ccc12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H24Cl2N2O5/c1-13(2)22-20(28-23(32-22)16-7-5-14(26)11-18(16)27)10-9-19-17-8-6-15(12-21(17)34-29-19)33-25(3,4)24(30)31/h5-8,11-13H,9-10H2,1-4H3,(H,30,31)
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| InChIKey |
MJHLFPYZTLHAHB-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