General Information of the Compound
| Compound ID |
CP0415369
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| Compound Name |
5-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C26H24N2O2S
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| Molecular Weight |
428.557
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| Canonical SMILES |
CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O
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| InChI |
InChI=1S/C26H24N2O2S/c1-3-21-23(15-20-9-6-8-18-7-4-5-10-22(18)20)27-26(28-25(21)30)31-16-24(29)19-13-11-17(2)12-14-19/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
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| InChIKey |
DIYGRRIDXGQXBP-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