General Information of the Compound
| Compound ID |
CP0059071
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| Compound Name |
N-[4-(3-cyanophenyl)-5-[2-(trifluoromethyl)phenoxy]-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C27H20F3N3O4S2
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| Molecular Weight |
571.602
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C27H20F3N3O4S2/c1-2-39(35,36)20-12-10-17(11-13-20)15-23(34)32-26-33-24(19-7-5-6-18(14-19)16-31)25(38-26)37-22-9-4-3-8-21(22)27(28,29)30/h3-14H,2,15H2,1H3,(H,32,33,34)
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| InChIKey |
UXDXQSCFGRFMJV-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