compound 2 [PMID: 8410973]

Ligand id: 6566

Name: compound 2 [PMID: 8410973]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 174.55
Molecular weight 713.36
XLogP 5.7
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide
Database Links
ChEMBL Ligand CHEMBL313773
PubChem CID 15126552
Search Google for chemical match using the InChIKey SXQPECMJHHMDFO-DUGYJJFCSA-N
Search Google for chemicals with the same backbone SXQPECMJHHMDFO
Search UniChem for chemical match using the InChIKey SXQPECMJHHMDFO-DUGYJJFCSA-N
Search UniChem for chemicals with the same backbone SXQPECMJHHMDFO
Comments
Cathepsin E inhbitor