General Information of the Compound
| Compound ID |
CP0528034
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| Compound Name |
2-(3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-4-(pyridin-4-ylmethoxy)phenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C27H22ClF3N2O5S
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| Molecular Weight |
578.996
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| Canonical SMILES |
Cc1nc(sc1CCOc1cc(ccc1OCc1ccncc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H22ClF3N2O5S/c1-16-23(39-24(33-16)18-2-5-20(28)6-3-18)10-13-37-22-14-19(26(36,25(34)35)27(29,30)31)4-7-21(22)38-15-17-8-11-32-12-9-17/h2-9,11-12,14,36H,10,13,15H2,1H3,(H,34,35)
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| InChIKey |
PITUWIXTRWKEDE-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