compound 17 [PMID: 15300839]

Ligand id: 715

Name: compound 17 [PMID: 15300839]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 75.81
Molecular weight 438.2
XLogP 6.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methoxy-N-[(1R,2R)-2-{[1-(naphthalen-1-yl)ethyl]amino}cyclohexyl]benzene-1-sulfonamide
Database Links
ChEMBL Ligand CHEMBL1197056
GtoPdb PubChem SID 135650672
PubChem CID 44415153
Search Google for chemical match using the InChIKey AKPJKVQQBSNRID-XTEKXTAFSA-N
Search Google for chemicals with the same backbone AKPJKVQQBSNRID
Search UniChem for chemical match using the InChIKey AKPJKVQQBSNRID-XTEKXTAFSA-N
Search UniChem for chemicals with the same backbone AKPJKVQQBSNRID