General Information of the Compound
| Compound ID |
CP0558433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-N-[(3-methoxyphenyl)methyl]-2-pyrazin-2-yl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N7OS
|
||||||||||||||||||
| Molecular Weight |
365.422
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2cnccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N7OS/c1-25-11-4-2-3-10(7-11)8-21-17-23-14(18)13-16(24-17)26-15(22-13)12-9-19-5-6-20-12/h2-7,9H,8H2,1H3,(H3,18,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEQYLMOXQUQBSR-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