compound 16 [PMID: 31498617]



compound 16 [PMID: 31498617]


SMILES COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C
InChIKey BWEJNHRMGZUMNU-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 435.1

Database connections

Structure pdb 8DWH 8HJ5

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

compound 16 [PMID: 31498617]


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Clinical Trials

Phase I 0
Phase II 0
Phase III 0
Approved No

Database connections

Structure pdb 8DWH 8HJ5

Sankey plot

Compound is not listed as a drug.