General Information of the Compound
| Compound ID |
CP0490639
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| Compound Name |
8-Bromo-9-(2,3-dihydroxypropyl)-9H-adenine
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| Synonyms |
3-(6-AMINO-8-BROMO-9H-PURIN-9-YL)PROPANE-1,2-DIOL
3-(6-Amino-8-bromo-purin-9-yl)-propane-1,2-diol
3-(6-amino-8-bromopurin-9-yl)propane-1,2-diol
69369-04-6
8-Bromo-9-(2,3-dihydroxypropyl)-9H-adenine
AC1MCMJY
AKOS001644314
BAS 00110783
BDBM50257096
C8H10BrN5O2
CCG-18677
CHEMBL505633
MCULE-9507586118
MolPort-000-712-951
Oprea1_060925
Oprea1_182885
ST50975882
STL558390
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| Structure |
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| Formula |
C8H10BrN5O2
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| Molecular Weight |
288.105
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| Canonical SMILES |
Nc1ncnc2n(CC(O)CO)c(Br)nc12
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| InChI |
InChI=1S/C8H10BrN5O2/c9-8-13-5-6(10)11-3-12-7(5)14(8)1-4(16)2-15/h3-4,15-16H,1-2H2,(H2,10,11,12)
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| InChIKey |
XXTHNUCUAMMCPB-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