General Information of the Compound
| Compound ID |
CP0101927
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| Compound Name |
N-[4-(3-chlorophenyl)-5-[2-(trifluoromethyl)phenoxy]-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C26H20ClF3N2O4S2
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| Molecular Weight |
581.037
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3C(F)(F)F)s2)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C26H20ClF3N2O4S2/c1-2-38(34,35)19-12-10-16(11-13-19)14-22(33)31-25-32-23(17-6-5-7-18(27)15-17)24(37-25)36-21-9-4-3-8-20(21)26(28,29)30/h3-13,15H,2,14H2,1H3,(H,31,32,33)
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| InChIKey |
QDSXXUYMZGAZSR-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