CMPD-1

Ligand id: 1179

Name: CMPD-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 69.93
Molecular weight 491.27
XLogP 9.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
Synonyms
furan-1
Database Links
BindingDB Ligand 50261184
CAS Registry No. 263847-55-8 (source: Scifinder)
ChEMBL Ligand CHEMBL494803
PubChem CID 9957278
Search Google for chemical match using the InChIKey IPEMCIBPDYCJLO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IPEMCIBPDYCJLO
Search UniChem for chemical match using the InChIKey IPEMCIBPDYCJLO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IPEMCIBPDYCJLO