alsterpaullone 2-cyanoethyl

Ligand id: 5926

Name: alsterpaullone 2-cyanoethyl

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 111.82
Molecular weight 346.11
XLogP 2.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile
Synonyms
alsterpaullone derivative7
Database Links
CAS Registry No. 852527-97-0
ChEMBL Ligand CHEMBL260138
PubChem CID 16760286
Search Google for chemical match using the InChIKey UBLFSMURWWWWMH-UHFFFAOYSA-N
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