compound 41 [PMID: 17574411]

Ligand id: 3006

Name: compound 41 [PMID: 17574411]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 105.83
Molecular weight 521.25
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(propan-2-yl)-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoate
Synonyms
2q6b
Database Links
ChEMBL Ligand CHEMBL228955
GtoPdb PubChem SID 135649749
PubChem CID 24916963
Search Google for chemical match using the InChIKey OMBVEVHRIQULKW-DNQXCXABSA-M
Search Google for chemicals with the same backbone OMBVEVHRIQULKW
Search UniChem for chemical match using the InChIKey OMBVEVHRIQULKW-DNQXCXABSA-M
Search UniChem for chemicals with the same backbone OMBVEVHRIQULKW