General Information of the Compound
| Compound ID |
CP0397006
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| Compound Name |
1-ethyl-8-(furan-2-yl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C15H18N4O4
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| Molecular Weight |
318.333
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| Canonical SMILES |
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccco1
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| InChI |
InChI=1S/C15H18N4O4/c1-3-18-14(20)11-13(19(15(18)21)7-5-8-22-2)17-12(16-11)10-6-4-9-23-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17)
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| InChIKey |
FKUNKKPKGGEJHK-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