General Information of the Compound
| Compound ID |
CP0373953
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| Compound Name |
2-(4-((4-(4-(Diethylamino)phenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C30H29F3N2O5S
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| Molecular Weight |
586.632
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H29F3N2O5S/c1-4-35(5-2)22-10-6-20(7-11-22)28-29(21-8-12-23(13-9-21)40-30(31,32)33)41-26(34-28)17-38-24-14-15-25(19(3)16-24)39-18-27(36)37/h6-16H,4-5,17-18H2,1-3H3,(H,36,37)
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| InChIKey |
RCLLKHWMQADPEA-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