compound D24 [PMID: 24374347]

Ligand id: 8834

Name: compound D24 [PMID: 24374347]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.28
Molecular weight 344.15
XLogP 6.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2-methoxyphenyl)amino]-2-[2-(phenylmethoxy)phenyl]acetonitrile
Database Links
ChEMBL Ligand CHEMBL1509437
PubChem CID 5123423
Search Google for chemical match using the InChIKey KYFXPHPBTUJULU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KYFXPHPBTUJULU
Search UniChem for chemical match using the InChIKey KYFXPHPBTUJULU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KYFXPHPBTUJULU
Comments
Compound D24 is the most potent inhibitor of sphingomyelin synthase 2 (SMS2; SGMS2) reported in [1].