General Information of the Compound
| Compound ID |
CP0186126
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| Compound Name |
2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-5-methoxy-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C25H23F3O5S
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| Molecular Weight |
492.515
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| Canonical SMILES |
COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
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| InChIKey |
ONKOHQZZVMTPOM-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