General Information of the Compound
| Compound ID |
CP0457337
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| Compound Name |
1-[(3-ethoxyphenyl)methyl]-5-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C20H18F3N3O4S
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| Molecular Weight |
453.442
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| Canonical SMILES |
CCOc1cccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(C)(=O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H18F3N3O4S/c1-3-30-15-6-4-5-13(9-15)11-26-12-14(7-8-18(26)27)16-10-17(20(21,22)23)25-19(24-16)31(2,28)29/h4-10,12H,3,11H2,1-2H3
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| InChIKey |
ZVVOOIIIAPSTAU-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