General Information of the Compound
| Compound ID |
CP0066702
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[5-(4-methoxyphenoxy)-4-phenyl-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C26H24N2O5S2
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| Molecular Weight |
508.621
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(OC)cc3)s2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H24N2O5S2/c1-3-35(30,31)22-15-9-18(10-16-22)17-23(29)27-26-28-24(19-7-5-4-6-8-19)25(34-26)33-21-13-11-20(32-2)12-14-21/h4-16H,3,17H2,1-2H3,(H,27,28,29)
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| InChIKey |
ANHCIPXNRMCIMG-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