General Information of the Compound
| Compound ID |
CP0510604
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| Compound Name |
4-hexoxy-2-hexylsulfanyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C16H28N2O2S
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| Molecular Weight |
312.479
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| Canonical SMILES |
CCCCCCOc1cc(O)nc(SCCCCCC)n1
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| InChI |
InChI=1S/C16H28N2O2S/c1-3-5-7-9-11-20-15-13-14(19)17-16(18-15)21-12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,17,18,19)
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| InChIKey |
UJLIITOBZGELKA-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