compound 1 [PMID: 21939274]

Ligand id: 5743

Name: compound 1 [PMID: 21939274]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 95.24
Molecular weight 402.18
XLogP 2.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
propan-2-yl 4-[3-cyano-5-(quinoxalin-6-yl)pyridin-2-yl]piperazine-1-carboxylate
Database Links
PubChem CID 73755151
Search Google for chemical match using the InChIKey UVINGSLSDLUGKX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UVINGSLSDLUGKX
Search UniChem for chemical match using the InChIKey UVINGSLSDLUGKX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UVINGSLSDLUGKX