General Information of the Compound
| Compound ID |
CP0439433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-methoxy-phenyl)-3-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N6O3
|
||||||||||||||||||
| Molecular Weight |
426.436
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N6O3/c1-32-17-13-11-16(12-14-17)24-23(31)26-22-25-18-9-5-6-10-19(18)28-21(30)20(27-29(22)28)15-7-3-2-4-8-15/h2-14H,1H3,(H2,24,25,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNUYVLKBYPHRDX-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