General Information of the Compound
| Compound ID |
CP0417844
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| Compound Name |
8-benzyl-1-ethyl-3-(furan-2-ylmethyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H18N4O3
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| Molecular Weight |
350.378
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| Canonical SMILES |
CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)[nH]c2c1=O
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| InChI |
InChI=1S/C19H18N4O3/c1-2-22-18(24)16-17(23(19(22)25)12-14-9-6-10-26-14)21-15(20-16)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,20,21)
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| InChIKey |
LNUPSMNRUGXWSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b