TCS 5861528

Ligand id: 6276

Name: TCS 5861528

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 87.54
Molecular weight 369.18
XLogP 3.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Database Links
CAS Registry No. 332117-28-9 (source: SciFinder)
ChEMBL Ligand CHEMBL1086339
PubChem CID 2873523
Search Google for chemical match using the InChIKey ZUTUWJYMCADJHD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZUTUWJYMCADJHD
Search UniChem for chemical match using the InChIKey ZUTUWJYMCADJHD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZUTUWJYMCADJHD