NDT9513727 [5624]



NDT9513727


SMILES CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
InChIKey ITACCRHKSPSKKL-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 11
Log P 7.677
Molecular weight (Da) 573.3
Stereochemistry info unspecified

Database connections

Structure pdb 5O9H 6C1Q

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

NDT9513727


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 5O9H 6C1Q

Compound is not listed as a drug.