General Information of the Compound
| Compound ID |
CP0325274
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| Compound Name |
2-((3-((2-(4-cyanophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C29H25N3O6
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| Molecular Weight |
511.534
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| Canonical SMILES |
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H25N3O6/c1-19-6-12-24(13-7-19)38-29(35)32(17-27(33)34)16-22-4-3-5-25(14-22)36-18-26-20(2)37-28(31-26)23-10-8-21(15-30)9-11-23/h3-14H,16-18H2,1-2H3,(H,33,34)
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| InChIKey |
LDOTVBJQMMQROS-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