General Information of the Compound
| Compound ID |
CP0381894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Bromo-9-methyl-9H-adenine
Show/Hide
|
||||||||||||||||||
| Synonyms |
56489-40-8
6-Amino-8-bromo-9-methyl-9H-purine
8-Bromo-9-methyl-9H-adenine
8-bromo-9-methyladenine
8-bromo-9-methylpurin-6-amine
9H-Purin-6-amine, 8-bromo-9-methyl-
AC1LGJ6D
AKOS022687396
BDBM50256842
CHEMBL510288
CTK1E1875
DTXSID90356366
ICJDGKILGBQWGF-UHFFFAOYSA-N
Oprea1_555380
SCHEMBL8832637
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C6H6BrN5
|
||||||||||||||||||
| Molecular Weight |
228.053
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(Br)nc2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C6H6BrN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2H,1H3,(H2,8,9,10)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICJDGKILGBQWGF-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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