compound 48/80 [2278]



compound 48/80


SMILES CNCCc1ccc(OC)c(Cc2cc(CCNC)cc(Cc3cc(CCNC)ccc3OC)c2OC)c1
InChIKey DXEVTBAWIGXNAW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 16
Log P 4.180
Molecular weight (Da) 519.3
Stereochemistry info unspecified

Database connections

Structure pdb 7VV6 7VDH 7VV5

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 48/80


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 7VV6 7VDH 7VV5

Compound is not listed as a drug.