General Information of the Compound
| Compound ID |
CP0354227
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| Compound Name |
9-benzyl-2-(2-methoxyethoxy)-6-(methylamino)-7H-purin-8-one
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| Structure |
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| Formula |
C16H19N5O3
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| Molecular Weight |
329.36
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| Canonical SMILES |
CNc1nc(OCCOC)nc2n(Cc3ccccc3)c(=O)[nH]c12
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| InChI |
InChI=1S/C16H19N5O3/c1-17-13-12-14(20-15(19-13)24-9-8-23-2)21(16(22)18-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,22)(H,17,19,20)
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| InChIKey |
OSILWVXKFRDCIL-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