P552-02

Ligand id: 4280

Name: P552-02

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 194.99
Molecular weight 451.17
XLogP 0.73
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,5-diamino-6-chloro-N-(N'-{4-[4-(2,3-dihydroxypropoxy)phenyl]butyl}carbamimidoyl)pyrazine-2-carboxamide
Database Links
CAS Registry No. 587879-32-1 (source: Scifinder)
ChEMBL Ligand CHEMBL212432
GtoPdb PubChem SID 178101097
PubChem CID 10310524
Search Google for chemical match using the InChIKey NTRKMGDUWYBLMS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NTRKMGDUWYBLMS
Search UniChem for chemical match using the InChIKey NTRKMGDUWYBLMS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NTRKMGDUWYBLMS