General Information of the Compound
| Compound ID |
CP0529735
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| Compound Name |
(3E)-2-[(4-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}phenyl)methyl]-3-(propoxyimino)butanoic acid
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| Structure |
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| Formula |
C26H29FN2O5
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| Molecular Weight |
468.525
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| Canonical SMILES |
CCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C26H29FN2O5/c1-4-14-33-29-17(2)23(26(30)31)16-19-5-11-22(12-6-19)32-15-13-24-18(3)34-25(28-24)20-7-9-21(27)10-8-20/h5-12,23H,4,13-16H2,1-3H3,(H,30,31)/b29-17+
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| InChIKey |
DZBJSHNAIAZMJV-STBIYBPSSA-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