MRS1084

Ligand id: 397

Name: MRS1084

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 48.67
Molecular weight 346.12
XLogP 6.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[(E)-2-phenylethenyl]-4-propoxypyrano[3,2-f][1]benzoxol-5-one
Synonyms
4-(propyloxy)-7-trans-styrylvisnagin
Database Links
BindingDB Ligand 50051343
CAS Registry No. 176220-98-7 (source: Scifinder)
ChEMBL Ligand CHEMBL76128
PubChem CID 10593671
Search Google for chemical match using the InChIKey RCPBGBWHKGZPFO-CMDGGOBGSA-N
Search Google for chemicals with the same backbone RCPBGBWHKGZPFO
Search UniChem for chemical match using the InChIKey RCPBGBWHKGZPFO-CMDGGOBGSA-N
Search UniChem for chemicals with the same backbone RCPBGBWHKGZPFO