General Information of the Compound
| Compound ID |
CP0393015
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| Compound Name |
N-cyclobutyl-9-ethyl-8-phenylpurin-6-amine
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| Structure |
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| Formula |
C17H19N5
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| Molecular Weight |
293.374
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| Canonical SMILES |
CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
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| InChI |
InChI=1S/C17H19N5/c1-2-22-16(12-7-4-3-5-8-12)21-14-15(18-11-19-17(14)22)20-13-9-6-10-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,18,19,20)
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| InChIKey |
KZZKERCVUXYGNK-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