[3H]OSIP339391

Ligand id: 454

Name: [3H]OSIP339391    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 106.25
Molecular weight 525.29
XLogP 6.25
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]ethyl]acetamide
Database Links
BindingDB Ligand 50268107
ChEMBL Ligand CHEMBL485862
PubChem CID 5311041
Search Google for chemical match using the InChIKey MIUCZFWBCFZKEU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MIUCZFWBCFZKEU
Search UniChem for chemical match using the InChIKey MIUCZFWBCFZKEU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MIUCZFWBCFZKEU