Ro 48-8071

Ligand id: 6710

Name: Ro 48-8071

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 29.54
Molecular weight 447.12
XLogP 6.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone
Synonyms
compound 2 [PMID: 22533316] [1]
Database Links
CAS Registry No. 161582-11-2 (source: Scifinder)
ChEMBL Ligand CHEMBL304858
PubChem CID 1949
RCSB PDB Ligand R71
Search Google for chemical match using the InChIKey CMYCCJYVZIMDFU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CMYCCJYVZIMDFU
Search UniChem for chemical match using the InChIKey CMYCCJYVZIMDFU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CMYCCJYVZIMDFU
SynPHARM 78769 (in complex with lanosterol synthase)