General Information of the Compound
| Compound ID |
CP0448178
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| Compound Name |
2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C20H15F4NO3S2
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| Molecular Weight |
457.47
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| Canonical SMILES |
Cc1cc(SCc2cnc(s2)-c2ccc(c(F)c2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C20H15F4NO3S2/c1-11-6-13(3-5-17(11)28-9-18(26)27)29-10-14-8-25-19(30-14)12-2-4-15(16(21)7-12)20(22,23)24/h2-8H,9-10H2,1H3,(H,26,27)
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| InChIKey |
FYWOLZQWHVHKNK-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