1400W

Ligand id: 5102

Name: 1400W

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 64.4
Molecular weight 177.13
XLogP 1.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N'-{[3-(aminomethyl)phenyl]methyl}ethenimidamide
Synonyms
W 1400
Database Links
CAS Registry No. 180001-34-7
ChEMBL Ligand CHEMBL107251
PubChem CID 1433
RCSB PDB Ligand 14W
Search Google for chemical match using the InChIKey RODUKNYOEVZQPR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RODUKNYOEVZQPR
Search UniChem for chemical match using the InChIKey RODUKNYOEVZQPR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RODUKNYOEVZQPR
Comments
Potent, highly selective iNOS inhibitor.