General Information of the Compound
| Compound ID |
CP0396642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenyl-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11N3OS
|
||||||||||||||||||
| Molecular Weight |
293.351
|
||||||||||||||||||
| Canonical SMILES |
O=c1n([nH]c2nc(ccc12)-c1cccs1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11N3OS/c20-16-12-8-9-13(14-7-4-10-21-14)17-15(12)18-19(16)11-5-2-1-3-6-11/h1-10H,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UUYOCHUHVNWETF-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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase