General Information of the Compound
| Compound ID |
CP0422857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-N-(4-nitrobenzyl)pyrazolo[1,5-a]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H10ClN5O2
|
||||||||||||||||||
| Molecular Weight |
303.709
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)5-6-16-18)15-8-9-1-3-10(4-2-9)19(20)21/h1-7,15H,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGQJODSAGCOFGG-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