JH112 [4320]



JH112


SMILES CC[C@H](C)[C@H]1CN(c2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1
InChIKey CRLKYMWQHWKXAE-FDDCHVKYSA-N

Chemical Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Log P 5.138
Molecular weight (Da) 492.2
Stereochemistry info full

Database connections

Structure pdb 6V9S

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

JH112


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 6V9S

Compound is not listed as a drug.