General Information of the Compound
| Compound ID |
CP0511599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14N2O5S
|
||||||||||||||||||
| Molecular Weight |
394.408
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,(H,21,22)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJNQWYPLIWCKRB-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