General Information of the Compound
| Compound ID |
CP0381882
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| Compound Name |
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
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| Synonyms |
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
2-(6-amino-8-bromo-purin-9-yl)ethanol
43047-77-4
6-amino-8-bromo-9-(2-hydroxyethyl)-9H-purine
8-Bromo-9-(2-hydroxyethyl)-9H-adenine
9H-Purine-9-ethanol, 6-amino-8-bromo-
AKOS030562477
BDBM50257051
CHEMBL474058
CTK1C8207
DTXSID50659527
HPCQLQBYCLLETI-UHFFFAOYSA-N
SCHEMBL987368
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| Structure |
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| Formula |
C7H8BrN5O
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| Molecular Weight |
258.079
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| Canonical SMILES |
Nc1ncnc2n(CCO)c(Br)nc12
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| InChI |
InChI=1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11)
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| InChIKey |
HPCQLQBYCLLETI-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