General Information of the Compound
| Compound ID |
CP0432668
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| Compound Name |
3-[4-[[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C25H24F5NO3S
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| Molecular Weight |
513.528
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| Canonical SMILES |
CCc1ccc(cc1)-c1nsc(c1COc1ccc(CCC(O)=O)c(C)c1C)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C25H24F5NO3S/c1-4-16-5-7-18(8-6-16)22-19(23(35-31-22)24(26,27)25(28,29)30)13-34-20-11-9-17(10-12-21(32)33)14(2)15(20)3/h5-9,11H,4,10,12-13H2,1-3H3,(H,32,33)
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| InChIKey |
NPNIGANFKCIYQA-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