General Information of the Compound
| Compound ID |
CP0505373
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| Compound Name |
(3E)-3-(ethoxyimino)-2-[(4-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}phenyl)methyl]butanoic acid
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| Structure |
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| Formula |
C25H27FN2O5
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| Molecular Weight |
454.498
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| Canonical SMILES |
CCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H27FN2O5/c1-4-32-28-16(2)22(25(29)30)15-18-5-11-21(12-6-18)31-14-13-23-17(3)33-24(27-23)19-7-9-20(26)10-8-19/h5-12,22H,4,13-15H2,1-3H3,(H,29,30)/b28-16+
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| InChIKey |
BOUVSJWKRSSLFE-LQKURTRISA-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: PT00915, Peroxisome proliferator-activated receptor gamma