General Information of the Compound
| Compound ID |
CP0440210
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| Compound Name |
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-4-(naphthalen-1-ylmethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C25H22N2O3S
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| Molecular Weight |
430.529
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
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| InChI |
InChI=1S/C25H22N2O3S/c1-16-22(14-19-8-5-7-17-6-3-4-9-21(17)19)26-25(27-24(16)29)31-15-23(28)18-10-12-20(30-2)13-11-18/h3-13H,14-15H2,1-2H3,(H,26,27,29)
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| InChIKey |
QYZSMKWFGNBBQU-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