ALRT 1550

Ligand id: 2740

Name: ALRT 1550

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 340.24
XLogP 9.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E,4E,6E)-7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
Database Links
BindingDB Ligand 50052033
CAS Registry No. 178600-20-9 (source: Scifinder)
ChEMBL Ligand CHEMBL89241
PubChem CID 5287705
RCSB PDB Ligand ARL
Search Google for chemical match using the InChIKey JMPZTWDLOGTBPM-OUQSKUGOSA-N
Search Google for chemicals with the same backbone JMPZTWDLOGTBPM
Search UniChem for chemical match using the InChIKey JMPZTWDLOGTBPM-OUQSKUGOSA-N
Search UniChem for chemicals with the same backbone JMPZTWDLOGTBPM