OSIP339391

Ligand id: 450

Name: 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
Synonyms
OSIP-339391 | UCS15A
Database Links
CAS Registry No. 748136-54-1 (source: Scifinder)
ChEMBL Ligand CHEMBL485862
PubChem CID 5311041
Search Google for chemical match using the InChIKey MIUCZFWBCFZKEU-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey MIUCZFWBCFZKEU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MIUCZFWBCFZKEU