General Information of the Compound
| Compound ID |
CP0387973
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| Compound Name |
N-[8-(furan-2-yl)-9-methylpurin-6-yl]-2-[4-[(4-methylphenyl)methoxy]phenyl]acetamide
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| Structure |
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| Formula |
C26H23N5O3
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| Molecular Weight |
453.502
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| Canonical SMILES |
Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4n(C)c(nc34)-c3ccco3)cc2)cc1
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| InChI |
InChI=1S/C26H23N5O3/c1-17-5-7-19(8-6-17)15-34-20-11-9-18(10-12-20)14-22(32)29-24-23-26(28-16-27-24)31(2)25(30-23)21-4-3-13-33-21/h3-13,16H,14-15H2,1-2H3,(H,27,28,29,32)
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| InChIKey |
XOPAXWANUONHMP-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