General Information of the Compound
| Compound ID |
CP0481498
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| Compound Name |
3-(oxolan-2-ylmethyl)-8-phenyl-1-propyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H22N4O3
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| Molecular Weight |
354.41
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| Canonical SMILES |
CCCn1c(=O)n(CC2CCCO2)c2nc([nH]c2c1=O)-c1ccccc1
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| InChI |
InChI=1S/C19H22N4O3/c1-2-10-22-18(24)15-17(21-16(20-15)13-7-4-3-5-8-13)23(19(22)25)12-14-9-6-11-26-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,20,21)
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| InChIKey |
OGPQHEMBKDJNNB-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3