General Information of the Compound
| Compound ID |
CP0446532
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| Compound Name |
2-(4-(4-fluorobenzyloxy)-3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)phenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C28H22ClF4NO5S
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| Molecular Weight |
595.998
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| Canonical SMILES |
Cc1nc(sc1CCOc1cc(ccc1OCc1ccc(F)cc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H22ClF4NO5S/c1-16-24(40-25(34-16)18-4-7-20(29)8-5-18)12-13-38-23-14-19(27(37,26(35)36)28(31,32)33)6-11-22(23)39-15-17-2-9-21(30)10-3-17/h2-11,14,37H,12-13,15H2,1H3,(H,35,36)
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| InChIKey |
MTKUIVNNVXTHOZ-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