General Information of the Compound
| Compound ID |
CP0374033
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| Compound Name |
2-(1-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyphenyl)-thiazol-2-yl)methoxy)naphthalen-4-yloxy)acetic Acid
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| Structure |
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| Formula |
C30H22F3NO5S
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| Molecular Weight |
565.569
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c3ccccc23)sc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H22F3NO5S/c1-37-21-12-8-18(9-13-21)28-29(19-6-10-20(11-7-19)30(31,32)33)40-26(34-28)16-38-24-14-15-25(39-17-27(35)36)23-5-3-2-4-22(23)24/h2-15H,16-17H2,1H3,(H,35,36)
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| InChIKey |
YWSWRJYWMJHYJW-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