General Information of the Compound
| Compound ID |
CP0414857
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-5-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C19H16F3N3O4S
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| Molecular Weight |
439.415
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| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(C)(=O)=O)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H16F3N3O4S/c1-29-14-6-3-12(4-7-14)10-25-11-13(5-8-17(25)26)15-9-16(19(20,21)22)24-18(23-15)30(2,27)28/h3-9,11H,10H2,1-2H3
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| InChIKey |
ZBGIEBBDSMCITM-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