General Information of the Compound
| Compound ID |
CP0423157
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| Compound Name |
1-Benzyl-7-cyclohexyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
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| Structure |
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1
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| InChI |
InChI=1S/C23H27N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,25)
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| InChIKey |
FSHOAOFFSOLCBW-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