General Information of the Compound
| Compound ID |
CP0510230
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| Compound Name |
2-heptylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C11H18N2O2S
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| Molecular Weight |
242.344
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| Canonical SMILES |
CCCCCCCSc1nc(O)cc(O)n1
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| InChI |
InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-16-11-12-9(14)8-10(15)13-11/h8H,2-7H2,1H3,(H2,12,13,14,15)
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| InChIKey |
MAMXFPPSHNQQHI-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