General Information of the Compound
| Compound ID |
CP0467851
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| Compound Name |
9-Cyclobutyl-9H-adenine
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| Synonyms |
132406-73-6
9-Cyclobutyl-9H-adenine
9-Cyclobutyl-9H-purin-6-amine
9-Cyclobutyladenine
9-cBuA
9-cyclobutylpurin-6-amine
9H-Purin-6-amine, 9-cyclobutyl-
AC1L9QF6
BDBM50257000
CHEMBL455493
CTK4B7898
DTXSID80157526
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| Structure |
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| Formula |
C9H11N5
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| Molecular Weight |
189.222
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| Canonical SMILES |
Nc1ncnc2n(cnc12)C1CCC1
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| InChI |
InChI=1S/C9H11N5/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-6/h4-6H,1-3H2,(H2,10,11,12)
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| InChIKey |
JGFAEEKLMAWINF-UHFFFAOYSA-N
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| CAS |
132406-73-6
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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
Clinical Information about the Compound