General Information of the Compound
| Compound ID |
CP0378166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N4O
|
||||||||||||||||||
| Molecular Weight |
366.424
|
||||||||||||||||||
| Canonical SMILES |
O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N4O/c28-22-21(18-11-5-2-6-12-18)24-25-23-26(16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)27(22)23/h1-14H,15-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSXSOEGTPRCMSB-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3