General Information of the Compound
| Compound ID |
CP0175161
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[4-phenyl-5-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C26H21F3N2O4S2
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| Molecular Weight |
546.592
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(cc3)C(F)(F)F)s2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H21F3N2O4S2/c1-2-37(33,34)21-14-8-17(9-15-21)16-22(32)30-25-31-23(18-6-4-3-5-7-18)24(36-25)35-20-12-10-19(11-13-20)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,31,32)
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| InChIKey |
NJKMVQWLGFNJMI-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