General Information of the Compound
| Compound ID |
CP0430315
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| Compound Name |
2-(4-((4,5-bis(4-(trifluoromethyl)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C27H19F6NO4S
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| Molecular Weight |
567.507
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C27H19F6NO4S/c1-15-12-20(10-11-21(15)38-14-23(35)36)37-13-22-34-24(16-2-6-18(7-3-16)26(28,29)30)25(39-22)17-4-8-19(9-5-17)27(31,32)33/h2-12H,13-14H2,1H3,(H,35,36)
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| InChIKey |
KVTUZYTXXKDESB-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