LY301875

Ligand id: 6909

Name: LY301875

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 213.81
Molecular weight 642.2
XLogP 3.94
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,4S)-4-(4-carboxyphenoxy)-1-[(2S)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Synonyms
LY 301875 | LY-301875
Database Links
CAS Registry No. 154668-27-6 (source: Scifinder)
PubChem CID 73755246
Search Google for chemical match using the InChIKey HHFYOGBTLFTWQX-XWGVYQGASA-N
Search Google for chemicals with the same backbone HHFYOGBTLFTWQX
Search UniChem for chemical match using the InChIKey HHFYOGBTLFTWQX-XWGVYQGASA-N
Search UniChem for chemicals with the same backbone HHFYOGBTLFTWQX
Comments
The structure of LY301875 shown here is the same as that in the reference listed [1]. Please note that the stereochemistry of the ChEMBL entry linked to above varies slightly from our structure.