General Information of the Compound
| Compound ID |
CP0440715
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| Compound Name |
2-(3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-4-phenethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C29H25ClF3NO5S
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| Molecular Weight |
592.035
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| Canonical SMILES |
Cc1nc(sc1CCOc1cc(ccc1OCCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H25ClF3NO5S/c1-18-25(40-26(34-18)20-7-10-22(30)11-8-20)14-16-39-24-17-21(28(37,27(35)36)29(31,32)33)9-12-23(24)38-15-13-19-5-3-2-4-6-19/h2-12,17,37H,13-16H2,1H3,(H,35,36)
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| InChIKey |
XNNIOBJKRYGVIG-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