General Information of the Compound
| Compound ID |
CP0459249
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| Compound Name |
2-[3-[2-[4-Isopropyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]ethyl]-5-methyl-1,2-benzisoxazol-6-yloxy]-2-methylpropionic acid
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| Structure |
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| Formula |
C27H27F3N2O4S
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| Molecular Weight |
532.584
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| Canonical SMILES |
CC(C)c1nc(sc1CCc1noc2cc(OC(C)(C)C(O)=O)c(C)cc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H27F3N2O4S/c1-14(2)23-22(37-24(31-23)16-6-8-17(9-7-16)27(28,29)30)11-10-19-18-12-15(3)20(13-21(18)36-32-19)35-26(4,5)25(33)34/h6-9,12-14H,10-11H2,1-5H3,(H,33,34)
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| InChIKey |
FJUBGMRHMNICPT-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