General Information of the Compound
| Compound ID |
CP0429600
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| Compound Name |
1-(2-ethylsulfanylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C18H24N4O4S
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| Molecular Weight |
392.481
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| Canonical SMILES |
CCSCCn1c(=O)n(CCCOC)c2nc(Cc3ccco3)[nH]c2c1=O
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| InChI |
InChI=1S/C18H24N4O4S/c1-3-27-11-8-22-17(23)15-16(21(18(22)24)7-5-9-25-2)20-14(19-15)12-13-6-4-10-26-13/h4,6,10H,3,5,7-9,11-12H2,1-2H3,(H,19,20)
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| InChIKey |
PRRRSYLQMFKSEU-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