General Information of the Compound
| Compound ID |
CP0406008
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| Compound Name |
8-Bromo-9-ethyl-9H-adenine
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| Synonyms |
21031-79-8
8-Bromo-9-ethyl-9H-adenine
8-bromo-9-ethyladenine
8-bromo-9-ethylpurin-6-amine
AC1NRVH3
ANR-82
CHEMBL468633
SCHEMBL1755068
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| Structure |
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| Formula |
C7H8BrN5
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| Molecular Weight |
242.08
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| Canonical SMILES |
CCn1c(Br)nc2c(N)ncnc12
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| InChI |
InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)
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| InChIKey |
GACDSQLJMZANKT-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