compound 1 [PMID: 15261275]

Ligand id: 1702

Name: compound 1 [PMID: 15261275]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 59.59
Molecular weight 404.07
XLogP 5.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2-bromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
Database Links
ChEMBL Ligand CHEMBL363743
PubChem CID 10046856
Search Google for chemical match using the InChIKey ZVELNGXIEZFZIB-IRXDYDNUSA-N
Search Google for chemicals with the same backbone ZVELNGXIEZFZIB
Search UniChem for chemical match using the InChIKey ZVELNGXIEZFZIB-IRXDYDNUSA-N
Search UniChem for chemicals with the same backbone ZVELNGXIEZFZIB