NE 52-QQ57 [5628]



NE 52-QQ57


SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1
InChIKey HXPQWNPLNIEJOW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Log P 4.016
Molecular weight (Da) 416.2
Stereochemistry info unspecified

Database connections

Structure pdb 9JFU 9LMP

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

NE 52-QQ57


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 9JFU 9LMP

Compound is not listed as a drug.