General Information of the Compound
| Compound ID |
CP0431376
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| Compound Name |
1,3-Diisobutyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C21H25N5O2/c1-13(2)10-25-18-17(19(27)26(21(25)28)11-14(3)4)24-12-16(22-20(24)23-18)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,23)
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| InChIKey |
ZMSOKXUTNKJYQK-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