AL12180

Ligand id: 3386

Name: AL12180

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 96.22
Molecular weight 410.15
XLogP 3.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(2R,3S,4R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]hept-4-enoic acid
Synonyms
5,6-dihydro-4,5-didehydro-11-deoxy-11-oxa-16-(3-chlorophenoxy)-ω-tetranor-PGF2α | AL-12180
Database Links
CAS Registry No. 748816-43-5 (source: Scifinder)
GtoPdb PubChem SID 178100403
PubChem CID 59107184
Search Google for chemical match using the InChIKey GLYAVTUPQOQHAD-MOBTWWNESA-N
Search Google for chemicals with the same backbone GLYAVTUPQOQHAD
Search UniChem for chemical match using the InChIKey GLYAVTUPQOQHAD-MOBTWWNESA-N
Search UniChem for chemicals with the same backbone GLYAVTUPQOQHAD