General Information of the Compound
| Compound ID |
CP0544974
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| Compound Name |
3-[(4-benzoylphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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| Structure |
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| Formula |
C22H25NO6
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| Molecular Weight |
399.443
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(COCc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H25NO6/c1-22(2,3)29-21(27)23-18(20(25)26)14-28-13-15-9-11-17(12-10-15)19(24)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,25,26)
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| InChIKey |
ZUGHLSBGGIKDNF-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: PT00915, Peroxisome proliferator-activated receptor gamma