compound 20 [PMID: 22153340]

Ligand id: 6568

Name: compound 20 [PMID: 22153340]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.13
Molecular weight 427.11
XLogP 3.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-methyl-2-[12-(5-methylfuran-2-yl)-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonamido]butanoic acid
Database Links
ChEMBL Ligand CHEMBL1935285
GtoPdb PubChem SID 178103182
PubChem CID 25122902
Search Google for chemical match using the InChIKey LLJREHOWNIBILL-NRFANRHFSA-N
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