General Information of the Compound
| Compound ID |
CP0470629
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| Compound Name |
7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
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| Structure |
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| Formula |
C18H22N4O3S
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| Molecular Weight |
374.466
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| Canonical SMILES |
COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
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| InChI |
InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
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| InChIKey |
LYERZBXXDDMQGA-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