L-97-1

Ligand id: 389

Name: L-97-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 107.93
Molecular weight 518.3
XLogP 5.12
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-(4-aminophenyl)ethyl]-7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-8-(phenylmethyl)-1-propylpurine-2,6-dione
Database Links
CAS Registry No. 770703-20-3 (source: Scifinder)
PubChem CID 11627742
Search Google for chemical match using the InChIKey QVEHDKFBFDUCEZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QVEHDKFBFDUCEZ
Search UniChem for chemical match using the InChIKey QVEHDKFBFDUCEZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QVEHDKFBFDUCEZ