SR9009

Ligand id: 8901

Name: SR9009

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 104.16
Molecular weight 437.12
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
Database Links
BindingDB Ligand 50366238
CAS Registry No. 1379686-30-2
ChEMBL Ligand CHEMBL1961796
PubChem CID 57394020
Search Google for chemical match using the InChIKey MMJJNHOIVCGAAP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MMJJNHOIVCGAAP
Search UniChem for chemical match using the InChIKey MMJJNHOIVCGAAP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MMJJNHOIVCGAAP
Comments
SR9009 is an estrogen receptor β agonist [1].