General Information of the Compound
| Compound ID |
CP0435152
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| Compound Name |
8-Br-adenine
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| Synonyms |
1H-Purin-6-amine, 8-bromo-
6-Amino-8-bromopurine
6974-78-3
8-Br-adenine
8-Bromo adenine
8-Bromo-1H-adenine
8-Bromo-9H-purin-6-amine
8-Bromo-9H-purin-6-amine #
8-Bromo-9H-purin-6-ylamine
8-Bromo-9H-purine-6-amine
8-Bromoadenine
8-bromadenin
8-bromo-1h-purin-6-amine
8-bromo-7H-purin-6-amine
8-bromopurine-6-ylamine
9H-Purin-6-amine,2-bromo-
9H-Purin-6-amine,8-bromo-
AC1L31DI
CHEMBL65747
CTK4G0895
DTXSID70220036
EINECS 230-225-1
FVXHPCVBOXMRJP-UHFFFAOYSA-N
NSC 21697
Oprea1_043695
SCHEMBL8565
W-203555
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| Structure |
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| Formula |
C5H4BrN5
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| Molecular Weight |
214.026
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| Canonical SMILES |
Nc1ncnc2nc(Br)[nH]c12
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| InChI |
InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
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| InChIKey |
FVXHPCVBOXMRJP-UHFFFAOYSA-N
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| CAS |
6974-78-3
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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