General Information of the Compound
| Compound ID |
CP0477778
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| Compound Name |
4-hydroxy-2-octylsulfanyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C12H20N2O2S
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| Molecular Weight |
256.371
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| Canonical SMILES |
CCCCCCCCSc1nc(O)cc(O)n1
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| InChI |
InChI=1S/C12H20N2O2S/c1-2-3-4-5-6-7-8-17-12-13-10(15)9-11(16)14-12/h9H,2-8H2,1H3,(H2,13,14,15,16)
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| InChIKey |
KREXHIFCGOGJJX-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