KOS1326

Ligand id: 1446

Name: KOS1326

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 145.61
Molecular weight 699.46
XLogP 3.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,3S,4S,5R,8R,9S,10R,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
Synonyms
4'' deoxy EM-A enolether
Database Links
CAS Registry No. 150785-47-0 (source: Scifinder)
ChEMBL Ligand CHEMBL51522
PubChem CID 10259168
Search Google for chemical match using the InChIKey UJUXMUPAZCCNTJ-ANUGEFLXSA-N
Search Google for chemicals with the same backbone UJUXMUPAZCCNTJ
Search UniChem for chemical match using the InChIKey UJUXMUPAZCCNTJ-ANUGEFLXSA-N
Search UniChem for chemicals with the same backbone UJUXMUPAZCCNTJ