General Information of the Compound
| Compound ID |
CP0418537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-benzylureido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N6O2
|
||||||||||||||||||
| Molecular Weight |
410.437
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N6O2/c30-22(24-15-16-9-3-1-4-10-16)26-20-21-27-29(17-11-5-2-6-12-17)23(31)28(21)19-14-8-7-13-18(19)25-20/h1-14H,15H2,(H2,24,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VIBOPLGOAIYGMR-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