CGP 55845

Ligand id: 1088

Name: CGP 55845

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 79.37
Molecular weight 401.07
XLogP 4.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid
Synonyms
CGP-55845 | CGP-55845A | CGP55845
Database Links
CAS Registry No. 150175-54-5 (source: Scifinder)
ChEMBL Ligand CHEMBL455185
PubChem CID 5311042
Search Google for chemical match using the InChIKey ZODSPDOOCZZEIM-BBRMVZONSA-N
Search Google for chemicals with the same backbone ZODSPDOOCZZEIM
Search UniChem for chemical match using the InChIKey ZODSPDOOCZZEIM-BBRMVZONSA-N
Search UniChem for chemicals with the same backbone ZODSPDOOCZZEIM
Comments
When this compound is produced in preparation with HCL it is called CGP 55845A