General Information of the Compound
| Compound ID |
CP0150055
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| Compound Name |
8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C13H18N4O2
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| Molecular Weight |
262.313
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)
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| InChIKey |
CUGZRZZLABJZOU-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