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

No bioactivity data available.

compound 28.1 [PMID: 36847646]


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I
Phase II
Phase III
Phase IV

Database connections

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

Compound is not listed as a drug.