I-SAP

Ligand id: 3332

Name: I-SAP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 91.85
Molecular weight 531.09
XLogP 6.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,2S,3S,5S)-3-[(4-iodophenyl)sulfonylamino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Database Links
CAS Registry No. 133538-58-6 (source: Scifinder)
PubChem CID 22524604
Search Google for chemical match using the InChIKey SZNMERGTFJHNSM-JSMWPFPQSA-N
Search Google for chemicals with the same backbone SZNMERGTFJHNSM
Search UniChem for chemical match using the InChIKey SZNMERGTFJHNSM-JSMWPFPQSA-N
Search UniChem for chemicals with the same backbone SZNMERGTFJHNSM