General Information of the Compound
| Compound ID |
CP0399780
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| Compound Name |
5-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C26H24N2O3S
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| Molecular Weight |
444.556
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| Canonical SMILES |
CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O
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| InChI |
InChI=1S/C26H24N2O3S/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)27-26(28-25(21)30)32-16-24(29)18-11-13-20(31-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
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| InChIKey |
JBIGIFDASWZFBJ-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