General Information of the Compound
| Compound ID |
CP0464937
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| Compound Name |
3-Benzyl-1-butyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C16H18N4O2
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| Molecular Weight |
298.346
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| Canonical SMILES |
CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O
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| InChI |
InChI=1S/C16H18N4O2/c1-2-3-9-19-15(21)13-14(18-11-17-13)20(16(19)22)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,17,18)
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| InChIKey |
MKXAPFXXDKBXAK-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