General Information of the Compound
| Compound ID |
CP0395280
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| Compound Name |
8-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H20N6O3
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| Molecular Weight |
380.408
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1
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| InChI |
InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)
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| InChIKey |
DZIHDYAPFJXGGQ-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3