General Information of the Compound
| Compound ID |
CP0946757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-phenylpropyl)-9-propyl-9H-purin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N5
|
||||||||||||||||||
| Molecular Weight |
295.39
|
||||||||||||||||||
| Canonical SMILES |
CCCn1cnc2c(NCCCc3ccccc3)ncnc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N5/c1-2-11-22-13-21-15-16(19-12-20-17(15)22)18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11H2,1H3,(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQKNPLGJCOWHHW-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: PT05120, Transmembrane domain-containing protein TMIGD3