General Information of the Compound
| Compound ID |
CP0457335
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| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-pentylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C24H26F3N3O5S
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| Molecular Weight |
525.549
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| Canonical SMILES |
CCCCCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C24H26F3N3O5S/c1-4-5-6-11-36(32,33)23-28-18(13-21(29-23)24(25,26)27)17-8-10-22(31)30(15-17)14-16-7-9-19(34-2)20(12-16)35-3/h7-10,12-13,15H,4-6,11,14H2,1-3H3
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| InChIKey |
QLUZSHYXUSQBRM-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