General Information of the Compound
| Compound ID |
CP0424122
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| Compound Name |
7-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C14H14N4O2
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| Molecular Weight |
270.292
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| Canonical SMILES |
Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
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| InChIKey |
WXWQVDBZDNPNLZ-UHFFFAOYSA-N
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| CAS |
1807-85-8
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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