xestospongin C

Ligand Id: 4344
Ligand name xestospongin C

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 24.94
Molecular weight 446.39
XLogP 7.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.2^{8,11}.0^{10,15}.0^{25,29}]dotriacontane
Database Links
CAS Registry No. 88903-69-9 (source: Scifinder)
PubChem CID 5311502
Search Google for chemical match using the InChIKey PQYOPBRFUUEHRC-MUJQFDPKSA-N
Search Google for chemicals with the same backbone PQYOPBRFUUEHRC
ZINC ZINC33822036