General Information of the Compound
| Compound ID |
CP0454706
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| Compound Name |
4-hydroxy-2-(8-hydroxyoctylsulfanyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C12H20N2O3S
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| Molecular Weight |
272.37
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| Canonical SMILES |
OCCCCCCCCSc1nc(O)cc(O)n1
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| InChI |
InChI=1S/C12H20N2O3S/c15-7-5-3-1-2-4-6-8-18-12-13-10(16)9-11(17)14-12/h9,15H,1-8H2,(H2,13,14,16,17)
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| InChIKey |
JJXSLXSZNZXSJC-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