L-731128

Ligand id: 3068

Name: L-731128

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 132.13
Molecular weight 448.25
XLogP 8.08
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(10E)-6,8-dimethyl-11-phenylundec-10-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms
L 731128
Database Links
CAS Registry No. 172722-09-7 (source: Scifinder)
ChEMBL Ligand CHEMBL78492
PubChem CID 9889873
Search Google for chemical match using the InChIKey DSEOFKAKDCUIFI-NTEUORMPSA-N
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Search UniChem for chemical match using the InChIKey DSEOFKAKDCUIFI-NTEUORMPSA-N
Search UniChem for chemicals with the same backbone DSEOFKAKDCUIFI