General Information of the Compound
| Compound ID |
CP0381884
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| Compound Name |
9-Benzyl-8-bromo-9H-adenine
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| Synonyms |
56046-34-5
6-Amino-8-bromo-9-benzyl-9H-purine
8-Bromo-N9-benzyladenine
8-bromo-9-benzyladenine
9-Benzyl-8-bromo-9H-adenine
9-Benzyl-8-bromo-9H-purin-6-ylamine
9-benzyl-8-bromo-9H-purin-6-amine
9-benzyl-8-bromo-9H-purin-6-yl amine
9-benzyl-8-bromoadenine
BDBM50240851
CHEMBL151071
N9-benzyl-8-bromoadenine
OUPAEJUFVKPEHM-UHFFFAOYSA-N
SCHEMBL4341941
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| Structure |
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| Formula |
C12H10BrN5
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| Molecular Weight |
304.151
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| Canonical SMILES |
Nc1ncnc2n(Cc3ccccc3)c(Br)nc12
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| InChI |
InChI=1S/C12H10BrN5/c13-12-17-9-10(14)15-7-16-11(9)18(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16)
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| InChIKey |
OUPAEJUFVKPEHM-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