General Information of the Compound
| Compound ID |
CP0536288
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| Compound Name |
5-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]-1-[(3-propoxyphenyl)methyl]pyridin-2-one
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| Structure |
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| Formula |
C21H20F3N3O4S
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| Molecular Weight |
467.469
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| Canonical SMILES |
CCCOc1cccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(C)(=O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H20F3N3O4S/c1-3-9-31-16-6-4-5-14(10-16)12-27-13-15(7-8-19(27)28)17-11-18(21(22,23)24)26-20(25-17)32(2,29)30/h4-8,10-11,13H,3,9,12H2,1-2H3
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| InChIKey |
FAOZAPMIPNMBQT-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