General Information of the Compound
| Compound ID |
CP0516147
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| Compound Name |
2-(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 |
C21H17ClF3NO4S
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| Molecular Weight |
471.884
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| Canonical SMILES |
Cc1nc(sc1CCOc1cccc(c1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H17ClF3NO4S/c1-12-17(31-18(26-12)13-5-7-15(22)8-6-13)9-10-30-16-4-2-3-14(11-16)20(29,19(27)28)21(23,24)25/h2-8,11,29H,9-10H2,1H3,(H,27,28)
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| InChIKey |
NDSBDYWZWQXNNI-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