General Information of the Compound
| Compound ID |
CP0395580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12ClN5O
|
||||||||||||||||||
| Molecular Weight |
301.737
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc2c(Cl)nc(NC(=O)Cc3ccccc3)nc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12ClN5O/c1-20-8-10-12(15)17-14(18-13(10)19-20)16-11(21)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTVNDZZYQPCVNF-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