General Information of the Compound
| Compound ID |
CP0379398
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| Compound Name |
3-phenyl-2-[4-[(E)-C-phenyl-N-propoxycarbonimidoyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
CCCO\N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C25H25NO4/c1-2-17-29-26-24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)30-23(25(27)28)18-19-9-5-3-6-10-19/h3-16,23H,2,17-18H2,1H3,(H,27,28)/b26-24+
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| InChIKey |
FCICCMFKBFJZJT-SHHOIMCASA-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