compound 20o [PMID: 22984835]

Ligand id: 5906

Name: compound 20o [PMID: 22984835]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 155.41
Molecular weight 637.32
XLogP 2.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
butyl 4-{2-[(5-{2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy}-1-phenyl-1H-pyrazol-3-yl)formamido]acetyl}piperazine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL2172140
PubChem CID 66855377
Search Google for chemical match using the InChIKey QCKRRHRHLONWIP-SANMLTNESA-N
Search Google for chemicals with the same backbone QCKRRHRHLONWIP
Search UniChem for chemical match using the InChIKey QCKRRHRHLONWIP-SANMLTNESA-N
Search UniChem for chemicals with the same backbone QCKRRHRHLONWIP