calhex 231 [1620]



calhex 231


SMILES C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12
InChIKey YTFUQWWKTIWYEY-CQLNOVPUSA-N

Chemical Properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Log P 5.885
Molecular weight (Da) 406.2
Stereochemistry info full

Database connections

Ligand site mutations CaS

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

calhex 231


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

Ligand site mutations CaS

Compound is not listed as a drug.