GRI977143

Ligand id: 6580

Name: GRI977143

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 99.98
Molecular weight 391.09
XLogP 5.93
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzaldehyde
Synonyms
GRI-977143
Database Links
CAS Registry No. 325850-81-5 (source: SciFinder)
PubChem CID 73755227
Search Google for chemical match using the InChIKey IYUOFUODBWFCBK-UHFFFAOYSA-N
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