calhex 231

Ligand Id: 714
Ligand name calhex 231

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.13
Molecular weight 406.18
XLogP 8.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-chloro-N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
Synonyms
(1S,2S,1'R)-N1-(4-chlorobenzoyl)-N2-[1-(1-naphthyl)ethyl]-1,2-diaminocyclohexane
4-chloro-N-[(1S,2S)-2-[[(1R)-1-(1-naphthyl)ethyl]amino]cyclohexyl​]benzamide
Calhex-231
Database Links
ChEMBL Ligand 653088
PubChem CID 11849514
Search Google for chemical match using the InChIKey YTFUQWWKTIWYEY-CQLNOVPUSA-N
Search Google for chemicals with the same backbone YTFUQWWKTIWYEY
ZINC ZINC22053829