compound 9 [PMID: 18754614]

Ligand id: 3072

Name: compound 9 [PMID: 18754614]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 60.94
Molecular weight 407.06
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(5-bromothiophen-2-yl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol
Database Links
ChEMBL Ligand CHEMBL516943
PubChem CID 25147760
Search Google for chemical match using the InChIKey GFRMFVSDSQREBC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GFRMFVSDSQREBC
Search UniChem for chemical match using the InChIKey GFRMFVSDSQREBC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GFRMFVSDSQREBC