fexaramine

Ligand id: 2744

Name: fexaramine

Abbreviated name: FEX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 49.85
Molecular weight 496.27
XLogP 9.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (Z)-3-[3-[cyclohexanecarbonyl-[[4-(4-dimethylaminophenyl)phenyl]methyl]amino]phenyl]prop-2-enoate
Database Links
CAS Registry No. 574013-66-4 (source: Scifinder)
ChEBI CHEBI:80003
ChEMBL Ligand CHEMBL192966
DrugBank Ligand DB02545
PubChem CID 5326713
Search Google for chemical match using the InChIKey VLQTUNDJHLEFEQ-KGENOOAVSA-N
Search Google for chemicals with the same backbone VLQTUNDJHLEFEQ
Wikipedia Fexaramine