General Information of the Compound
| Compound ID |
CP0417367
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| Compound Name |
8-Bromo-9-(sec-butyl)-9H-adenine
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| Synonyms |
8-Bromo-9-(sec-butyl)-9H-adenine
CHEMBL509367
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| Structure |
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| Formula |
C9H12BrN5
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| Molecular Weight |
270.134
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| Canonical SMILES |
CCC(C)n1c(Br)nc2c(N)ncnc12
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| InChI |
InChI=1S/C9H12BrN5/c1-3-5(2)15-8-6(14-9(15)10)7(11)12-4-13-8/h4-5H,3H2,1-2H3,(H2,11,12,13)
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| InChIKey |
HDNHXVSBLXMYPH-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
Clinical Information about the Compound