General Information of the Compound
| Compound ID |
CP0881040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7,8-Dihydro-3H,6H-5-thia-1,2,3,4,8a-pentaaza-cyclopenta[b]naphthalen-9-one
Show/Hide
|
||||||||||||||||||
| Formula |
C7H7N5OS
|
||||||||||||||||||
| Molecular Weight |
209.234
|
||||||||||||||||||
| Canonical SMILES |
Oc1c2nnnc-2nc2n1CCCS2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C7H7N5OS/c13-6-4-5(10-11-9-4)8-7-12(6)2-1-3-14-7/h13H,1-3H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNQJVVYFGQLYSU-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 | |||||||||||||||||||
| 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