derivative 17 [Nakahata et al., 2018]



derivative 17 [Nakahata et al., 2018]


SMILES OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F
InChIKey VJMRKWPMFQGIPI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 489.1

Database connections

Structure pdb 6LI0 8HMP

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

derivative 17 [Nakahata et al., 2018]


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 6LI0 8HMP

Sankey plot

Compound is not listed as a drug.