General Information of the Compound
| Compound ID |
CP0437610
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| Compound Name |
3-[4-methoxy-3-[[(4-phenoxybenzoyl)amino]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C28H23NO5
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| Molecular Weight |
453.494
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| Canonical SMILES |
COc1ccc(cc1CNC(=O)c1ccc(Oc2ccccc2)cc1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C28H23NO5/c1-33-26-15-12-21(20-6-5-7-22(16-20)28(31)32)17-23(26)18-29-27(30)19-10-13-25(14-11-19)34-24-8-3-2-4-9-24/h2-17H,18H2,1H3,(H,29,30)(H,31,32)
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| InChIKey |
HEXFHENKHGBLSE-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