compound 18 [PMID: 18754614]

Ligand id: 3071

Name: compound 18 [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 32.7
Molecular weight 401.1
XLogP 5.94
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(4-bromophenyl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol
Database Links
ChEMBL Ligand CHEMBL524003
GtoPdb PubChem SID 135649691
PubChem CID 25108235
Search Google for chemical match using the InChIKey CFDRWKHPJHJISG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CFDRWKHPJHJISG
Search UniChem for chemical match using the InChIKey CFDRWKHPJHJISG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CFDRWKHPJHJISG