General Information of the Compound
| Compound ID |
CP0914342
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| Compound Name |
2-(Hexylthio)-6-propylpyrimidin-4-ol
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| Structure |
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| Formula |
C13H22N2OS
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| Molecular Weight |
254.399
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| Canonical SMILES |
CCCCCCSc1nc(O)cc(CCC)n1
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| InChI |
InChI=1S/C13H22N2OS/c1-3-5-6-7-9-17-13-14-11(8-4-2)10-12(16)15-13/h10H,3-9H2,1-2H3,(H,14,15,16)
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| InChIKey |
NLMMHSZCKMGUEM-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