General Information of the Compound
| Compound ID |
CP0391510
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11N5S
|
||||||||||||||||||
| Molecular Weight |
293.355
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXEHHKXNADFXES-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: PT01279, Adenosine receptor A3