General Information of the Compound
| Compound ID |
CP0384316
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| Compound Name |
2-(4-((5-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)thiazol-2-yl)-methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C30H31NO5S
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| Molecular Weight |
517.647
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H31NO5S/c1-19-16-24(14-15-25(19)36-18-27(32)33)35-17-26-31-28(20-8-12-23(34-5)13-9-20)29(37-26)21-6-10-22(11-7-21)30(2,3)4/h6-16H,17-18H2,1-5H3,(H,32,33)
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| InChIKey |
UFSNAGVBSDUUTI-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma