General Information of the Compound
| Compound ID |
CP0336775
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| Compound Name |
2-(4-(benzyloxy)-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 |
C28H23ClF3NO5S
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| Molecular Weight |
578.008
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| Canonical SMILES |
Cc1nc(sc1CCOc1cc(ccc1OCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H23ClF3NO5S/c1-17-24(39-25(33-17)19-7-10-21(29)11-8-19)13-14-37-23-15-20(27(36,26(34)35)28(30,31)32)9-12-22(23)38-16-18-5-3-2-4-6-18/h2-12,15,36H,13-14,16H2,1H3,(H,34,35)
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| InChIKey |
IYVFVGMFARXLQA-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