General Information of the Compound
| Compound ID |
CP0556833
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| Compound Name |
3-benzyl-2-hexylsulfanyl-6-hydroxypyrimidin-4-one
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| Structure |
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| Formula |
C17H22N2O2S
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| Molecular Weight |
318.442
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| Canonical SMILES |
CCCCCCSc1nc(O)cc(=O)n1Cc1ccccc1
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| InChI |
InChI=1S/C17H22N2O2S/c1-2-3-4-8-11-22-17-18-15(20)12-16(21)19(17)13-14-9-6-5-7-10-14/h5-7,9-10,12,20H,2-4,8,11,13H2,1H3
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| InChIKey |
XWSGOJNSICURAT-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