General Information of the Compound
| Compound ID |
CP0538672
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| Compound Name |
5-[2-(2,4-difluorophenoxy)-5-ethylsulfonylphenyl]-4-ethoxy-1-methylpyridin-2-one
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| Structure |
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| Formula |
C22H21F2NO5S
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| Molecular Weight |
449.475
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| Canonical SMILES |
CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)S(=O)(=O)CC
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| InChI |
InChI=1S/C22H21F2NO5S/c1-4-29-21-12-22(26)25(3)13-17(21)16-11-15(31(27,28)5-2)7-9-19(16)30-20-8-6-14(23)10-18(20)24/h6-13H,4-5H2,1-3H3
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| InChIKey |
ZZQHDQRDBRTDAH-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