General Information of the Compound
| Compound ID |
CP0439600
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| Compound Name |
1-Benzyl-7-methyl-3-(2-hydroxy-propyl)-1H,8H-imidazo-[2,1-f]purine-2,4-dione
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| Structure |
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| Formula |
C18H19N5O3
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| Molecular Weight |
353.382
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| Canonical SMILES |
Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1
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| InChI |
InChI=1S/C18H19N5O3/c1-12-10-22-14-15(20-17(22)19-12)23(11-13-6-3-2-4-7-13)18(26)21(16(14)25)8-5-9-24/h2-4,6-7,10,24H,5,8-9,11H2,1H3,(H,19,20)
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| InChIKey |
XTUSDSICDXFRIG-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