JB 98064

Ligand id: 1262

Name: JB 98064

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 56.35
Molecular weight 350.22
XLogP 5.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(4-chlorophenyl)methyl]-1-(7-pyrrolidin-1-ylheptyl)guanidine
Synonyms
JB-98064
Database Links
BindingDB Ligand 50240620
CAS Registry No. 485812-42-8 (source: Scifinder)
ChEMBL Ligand CHEMBL80582
PubChem CID 10810249
Search Google for chemical match using the InChIKey ZRIVDXCYPBUSKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZRIVDXCYPBUSKL
Search UniChem for chemical match using the InChIKey ZRIVDXCYPBUSKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZRIVDXCYPBUSKL