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
Comments
This compound is represented in PubChem with slightly different stereochemistry by CID 45115620.
Database Links
ChEMBL Ligand CHEMBL1732375
GtoPdb PubChem SID 223366053
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