alsterpaullone

Ligand id: 5925

Name: alsterpaullone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 88.03
Molecular weight 293.08
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one
Synonyms
9-nitropaullone
NSC-705701
Database Links
CAS Registry No. 237430-03-4
ChEMBL Ligand CHEMBL50894
DrugBank Ligand DB04014
PubChem CID 5005498
RCSB PDB Ligand ATU
Search Google for chemical match using the InChIKey OLUKILHGKRVDCT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OLUKILHGKRVDCT