ML218

Ligand id: 7720

Name: ML218

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 32.34
Molecular weight 368.14
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
Synonyms
ML 218 | ML-218
Database Links
ChEMBL Ligand CHEMBL1732375
PubChem CID 45115620
Search Google for chemical match using the InChIKey GSJIGYLGKSBYBC-OSYLJGHBSA-N
Search Google for chemicals with the same backbone GSJIGYLGKSBYBC
Search UniChem for chemical match using the InChIKey GSJIGYLGKSBYBC-OSYLJGHBSA-N
Search UniChem for chemicals with the same backbone GSJIGYLGKSBYBC
Comments
This compound is represented in PubChem with slightly different stereochemistry by CID 45115620.