compound 4 [PMID: 22984835]

Ligand id: 5905

Name: compound 4 [PMID: 22984835]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 169.6
Molecular weight 599.26
XLogP 2.33
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-4-({5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl}formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid
Database Links
ChEMBL Ligand CHEMBL2172277
PubChem CID 44126037
Search Google for chemical match using the InChIKey HPSHQEAEJMOGDO-NRFANRHFSA-N
Search Google for chemicals with the same backbone HPSHQEAEJMOGDO
Search UniChem for chemical match using the InChIKey HPSHQEAEJMOGDO-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone HPSHQEAEJMOGDO