General Information of the Compound
| Compound ID |
CP0471646
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| Compound Name |
1-[8-(furan-2-yl)-9-methylpurin-6-yl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C18H16N6O2
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| Molecular Weight |
348.366
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2ncnc3n(C)c(nc23)-c2ccco2)cc1
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| InChI |
InChI=1S/C18H16N6O2/c1-11-5-7-12(8-6-11)21-18(25)23-15-14-17(20-10-19-15)24(2)16(22-14)13-4-3-9-26-13/h3-10H,1-2H3,(H2,19,20,21,23,25)
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| InChIKey |
CSLLNGSZGCWLDE-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