General Information of the Compound
| Compound ID |
CP0435750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzoyl-N-[4-chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20ClN5O2
|
||||||||||||||||||
| Molecular Weight |
481.943
|
||||||||||||||||||
| Canonical SMILES |
Clc1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20ClN5O2/c28-23-22-18-32(17-16-19-10-4-1-5-11-19)31-24(22)30-27(29-23)33(25(34)20-12-6-2-7-13-20)26(35)21-14-8-3-9-15-21/h1-15,18H,16-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JETGKJKURYOTHK-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