General Information of the Compound
| Compound ID |
CP0242633
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| Compound Name |
N-[4-(2,2-dimethyl-3-methylsulfonylpropyl)-3-(trifluoromethyl)phenyl]-2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetamide
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| Structure |
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| Formula |
C28H30F4N2O5S
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| Molecular Weight |
582.616
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| Canonical SMILES |
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(c2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C28H30F4N2O5S/c1-5-39-24-13-25(35)33-15-21(24)17-6-7-18(23(29)10-17)11-26(36)34-20-9-8-19(22(12-20)28(30,31)32)14-27(2,3)16-40(4,37)38/h6-10,12-13,15H,5,11,14,16H2,1-4H3,(H,33,35)(H,34,36)
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| InChIKey |
BEXCPFCIYIOGDW-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