carbacyclin

Ligand id: 1893

Name: carbacyclin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 77.76
Molecular weight 350.25
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Synonyms
carboprostacyclin
Database Links
BindingDB Ligand 50109546
CAS Registry No. 69552-46-1 (source: Scifinder)
ChEMBL Ligand CHEMBL148319
GtoPdb PubChem SID 135650056
PubChem CID 5311242
Search Google for chemical match using the InChIKey XZFRIPGNUQRGPI-WLPVIMDJSA-N
Search Google for chemicals with the same backbone XZFRIPGNUQRGPI
Search UniChem for chemical match using the InChIKey XZFRIPGNUQRGPI-WLPVIMDJSA-N
Search UniChem for chemicals with the same backbone XZFRIPGNUQRGPI