General Information of the Compound
| Compound ID |
CP0402022
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| Compound Name |
1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
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| Structure |
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| Formula |
C23H20FN5O2
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| Molecular Weight |
417.444
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| Canonical SMILES |
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26)
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| InChIKey |
LYKKTUMLNOYVLB-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