General Information of the Compound
| Compound ID |
CP0420579
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| Compound Name |
1,3-dibutyl-9-[2-(4-hydroxyphenyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H33N5O3
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| Molecular Weight |
439.56
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| Canonical SMILES |
CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O
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| InChI |
InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3
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| InChIKey |
ATEZNJKGGIGILM-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3