S33084

Ligand id: 129

Name: S33084

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 65.36
Molecular weight 451.23
XLogP 7.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Synonyms
S 33084
Database Links
CAS Registry No. 273203-30-8 (source: Scifinder)
ChEMBL Ligand CHEMBL65280
PubChem CID 9868452
Search Google for chemical match using the InChIKey QQJHRQZZCNYDMX-VPUSJEBWSA-N
Search Google for chemicals with the same backbone QQJHRQZZCNYDMX
Search UniChem for chemical match using the InChIKey QQJHRQZZCNYDMX-VPUSJEBWSA-N
Search UniChem for chemicals with the same backbone QQJHRQZZCNYDMX