General Information of the Compound
| Compound ID |
CP0059070
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| Compound Name |
N-[4-(3-chlorophenyl)-5-phenoxy-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C25H21ClN2O4S2
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| Molecular Weight |
513.04
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3)s2)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-13-11-17(12-14-21)15-22(29)27-25-28-23(18-7-6-8-19(26)16-18)24(33-25)32-20-9-4-3-5-10-20/h3-14,16H,2,15H2,1H3,(H,27,28,29)
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| InChIKey |
AYCGEPDRAMQQCS-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