General Information of the Compound
| Compound ID |
CP0474676
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| Compound Name |
1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,8Himidazo[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 |
CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
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| InChI |
InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26)
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| InChIKey |
CWLRKKMZXCWJEO-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