General Information of the Compound
| Compound ID |
CP0458161
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| Compound Name |
2-hexylsulfanyl-4-(7-hydroxyheptoxy)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C17H30N2O3S
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| Molecular Weight |
342.505
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| Canonical SMILES |
CCCCCCSc1nc(OCCCCCCCO)cc(=O)[nH]1
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| InChI |
InChI=1S/C17H30N2O3S/c1-2-3-4-10-13-23-17-18-15(21)14-16(19-17)22-12-9-7-5-6-8-11-20/h14,20H,2-13H2,1H3,(H,18,19,21)
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| InChIKey |
IQUZOWCCGFQBEO-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