compound 4q [PMID: 7650673]

Ligand id: 3108

Name: compound 4q [PMID: 7650673]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 36.26
Molecular weight 444.26
XLogP 7.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[3-({[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)amino}methyl)phenoxymethyl]dimethylsilyl}benzonitrile
Database Links
ChEMBL Ligand CHEMBL15929
PubChem CID 10411224
Search Google for chemical match using the InChIKey LIDUGWDLSDKCLM-CSKARUKUSA-N
Search Google for chemicals with the same backbone LIDUGWDLSDKCLM
Search UniChem for chemical match using the InChIKey LIDUGWDLSDKCLM-CSKARUKUSA-N
Search UniChem for chemicals with the same backbone LIDUGWDLSDKCLM