General Information of the Compound
| Compound ID |
CP0389696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenyl-5-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N5S2
|
||||||||||||||||||
| Molecular Weight |
339.449
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(NCc2cccs2)nc2sc(nc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N5S2/c17-13-12-15(23-14(19-12)10-5-2-1-3-6-10)21-16(20-13)18-9-11-7-4-8-22-11/h1-8H,9H2,(H3,17,18,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSZKDONVLXWTJB-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