General Information of the Compound
| Compound ID |
CP0673789
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| Compound Name |
2-(4-(2-chloro-4-((4-(trifluoromethyl)phenoxy)methyl)phenylthio)-5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
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| Structure |
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| Formula |
C26H22ClF3O4S
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| Molecular Weight |
522.972
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| Canonical SMILES |
O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2Cl)c2c1CCCC2
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| InChI |
InChI=1S/C26H22ClF3O4S/c27-21-13-16(14-33-18-8-6-17(7-9-18)26(28,29)30)5-11-24(21)35-23-12-10-22(34-15-25(31)32)19-3-1-2-4-20(19)23/h5-13H,1-4,14-15H2,(H,31,32)
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| InChIKey |
VBPHFCWYMBATTC-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