ICI 118551

Ligand id: 543

Name: ICI 118551

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.49
Molecular weight 277.2
XLogP 3.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
Synonyms
ICI-118,551 | ICI-118551
Database Links
BindingDB Ligand 27960
CAS Registry No. 72795-26-7 (source: Scifinder)
ChEMBL Ligand CHEMBL198059
PubChem CID 5484725
Search Google for chemical match using the InChIKey VFIDUCMKNJIJTO-BBRMVZONSA-N
Search Google for chemicals with the same backbone VFIDUCMKNJIJTO
Search UniChem for chemical match using the InChIKey VFIDUCMKNJIJTO-BBRMVZONSA-N
Search UniChem for chemicals with the same backbone VFIDUCMKNJIJTO
SynPHARM 1873 (in complex with β2-adrenoceptor)
Wikipedia ICI_118551