General Information of the Compound
| Compound ID |
CP0394767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10ClN3O
|
||||||||||||||||||
| Molecular Weight |
295.729
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1-n1cc2c(n1)c1ccccc1[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10ClN3O/c17-12-6-2-4-8-14(12)20-9-11-15(19-20)10-5-1-3-7-13(10)18-16(11)21/h1-9H,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOCZDGNLSOOGLD-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