bradyzide

Ligand id: 680

Name: bradyzide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 18
Topological polar surface area 192.66
Molecular weight 682.27
XLogP 7.74
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[2-(2-dimethylaminoethyl-methylamino)ethyl]-1-[4-[2-[di(phenyl)methylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxamide
Database Links
BindingDB Ligand 50113263
CAS Registry No. 263011-13-8 (source: Scifinder)
ChEMBL Ligand CHEMBL308468
GtoPdb PubChem SID 135650020
PubChem CID 5312119
Search Google for chemical match using the InChIKey ZIBIVIRBYMBEHZ-NDEPHWFRSA-N
Search Google for chemicals with the same backbone ZIBIVIRBYMBEHZ
Search UniChem for chemical match using the InChIKey ZIBIVIRBYMBEHZ-NDEPHWFRSA-N
Search UniChem for chemicals with the same backbone ZIBIVIRBYMBEHZ