General Information of the Compound
| Compound ID |
CP0917244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CAY10498
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N6
|
||||||||||||||||||
| Molecular Weight |
320.4
|
||||||||||||||||||
| Canonical SMILES |
c1ccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N6/c1-2-4-13(5-3-1)21-18-23-16-15(19-10-20-16)17(24-18)22-14-9-11-6-7-12(14)8-11/h1-5,10-12,14H,6-9H2,(H3,19,20,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLLSODGWHDUMRG-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