General Information of the Compound
| Compound ID |
CP0221009
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| Compound Name |
2-{4-[4-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)butoxy]-1H-indol-1-yl}ethanoic acid
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| Structure |
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| Formula |
C25H25F3N2O5
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| Molecular Weight |
490.478
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| Canonical SMILES |
CCCc1c(OCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N2O5/c1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32/h5,7-12H,2-4,6,13-15H2,1H3,(H,31,32)
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| InChIKey |
WXKOPFMVUMNDBC-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