L-731120

Ligand id: 3069

Name: L-731120

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 132.13
Molecular weight 420.21
XLogP 6.12
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(6E)-6,8-dimethyl-9-phenylnon-6-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms
L 731120
Database Links
CAS Registry No. 172722-08-6 (source: Scifinder)
ChEMBL Ligand CHEMBL78491
PubChem CID 9931928
Search Google for chemical match using the InChIKey NLNJIEVMUWDLAZ-DTQAZKPQSA-N
Search Google for chemicals with the same backbone NLNJIEVMUWDLAZ
Search UniChem for chemical match using the InChIKey NLNJIEVMUWDLAZ-DTQAZKPQSA-N
Search UniChem for chemicals with the same backbone NLNJIEVMUWDLAZ