compound 28.1 [PMID: 36847646]



compound 28.1 [PMID: 36847646]


SMILES Cc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1
InChIKey XXKGCSWBGJTTJM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 321.1

Database connections

Structure pdb 8VY9 8VY7 8YKY 9IIW 9IIX 9IIX 9IIW 9IJA 9IJ9

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 28.1 [PMID: 36847646]


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 8VY9 8VY7 8YKY 9IIW 9IIX 9IIX 9IIW 9IJA 9IJ9

Compound is not listed as a drug.