compound 10b [PMID: 26222319]

Ligand id: 8731

Name: compound 10b [PMID: 26222319]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.63
Molecular weight 248.12
XLogP 0.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxamide
Database Links
PubChem CID 20854918
RCSB PDB Ligand FSU
Search Google for chemical match using the InChIKey VARCSQSOWLMGTH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VARCSQSOWLMGTH
Search UniChem for chemical match using the InChIKey VARCSQSOWLMGTH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VARCSQSOWLMGTH
SynPHARM 82673 (in complex with poly(ADP-ribose) polymerase 1)
82672 (in complex with poly(ADP-ribose) polymerase 2)