General Information of the Compound
| Compound ID |
CP0440095
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| Compound Name |
2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C34H30N2O6
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| Molecular Weight |
562.622
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| Canonical SMILES |
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C34H30N2O6/c1-23-11-17-29(18-12-23)42-34(39)36(21-32(37)38)20-25-7-6-10-30(19-25)40-22-31-24(2)41-33(35-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26/h3-19H,20-22H2,1-2H3,(H,37,38)
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| InChIKey |
MKYKWIGWLDLXHQ-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