General Information of the Compound
| Compound ID |
CP0417727
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| Compound Name |
2-((3-((2-(4-isopropylphenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C31H32N2O6
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| Molecular Weight |
528.605
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
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| InChI |
InChI=1S/C31H32N2O6/c1-20(2)24-10-12-25(13-11-24)30-32-28(22(4)38-30)19-37-27-7-5-6-23(16-27)17-33(18-29(34)35)31(36)39-26-14-8-21(3)9-15-26/h5-16,20H,17-19H2,1-4H3,(H,34,35)
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| InChIKey |
OLZIRYIUFPHXPU-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