General Information of the Compound
| Compound ID |
CP0373954
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| Compound Name |
2-(4-((4-(4-(Piperidin-1-yl)phenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C31H29F3N2O5S
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| Molecular Weight |
598.643
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(cc2)N2CCCCC2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C31H29F3N2O5S/c1-20-17-25(13-14-26(20)40-19-28(37)38)39-18-27-35-29(21-5-9-23(10-6-21)36-15-3-2-4-16-36)30(42-27)22-7-11-24(12-8-22)41-31(32,33)34/h5-14,17H,2-4,15-16,18-19H2,1H3,(H,37,38)
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| InChIKey |
JOYLQSJSOGYNLV-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