General Information of the Compound
| Compound ID |
CP0381889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Bromo-9-(2-butyl)-9H-adenine
Show/Hide
|
||||||||||||||||||
| Synonyms |
(8-bromo-9-butyl-9H-purin-6-yl)amine
202136-43-4
8-Bromo-9-(2-butyl)-9H-adenine
8-bromo-9-butyladenine
9H-Purin-6-amine,8-bromo-9-butyl-
AKOS015965383
BDBM50256953
CHEMBL505089
CTK4E3576
DTXSID80469393
FKNNQOCJLMQVAV-UHFFFAOYSA-N
SCHEMBL1965296
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H12BrN5
|
||||||||||||||||||
| Molecular Weight |
270.134
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1c(Br)nc2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H12BrN5/c1-2-3-4-15-8-6(14-9(15)10)7(11)12-5-13-8/h5H,2-4H2,1H3,(H2,11,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKNNQOCJLMQVAV-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