General Information of the Compound
| Compound ID |
CP0161265
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| Compound Name |
2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-5-chloro-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C24H20ClF3O4S
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| Molecular Weight |
496.934
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| Canonical SMILES |
Cc1cc(SCc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c(Cl)cc1OCC(O)=O
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| InChI |
InChI=1S/C24H20ClF3O4S/c1-15-10-22(20(25)11-21(15)32-13-23(29)30)33-14-17-4-8-19(9-5-17)31-12-16-2-6-18(7-3-16)24(26,27)28/h2-11H,12-14H2,1H3,(H,29,30)
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| InChIKey |
XXXMKMSHRBZEPM-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