GlaxoSmithKline compound 6i [PMID:18926700]

Ligand id: 5806

Name: GlaxoSmithKline compound 6i [PMID:18926700]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 32.34
Molecular weight 438.13
XLogP 7.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,5-dichlorophenyl)methanone
Database Links
PubChem CID 73755157
Search Google for chemical match using the InChIKey DKLLTFTXYHJXHK-OAEOJWKDSA-N
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Search UniChem for chemical match using the InChIKey DKLLTFTXYHJXHK-OAEOJWKDSA-N
Search UniChem for chemicals with the same backbone DKLLTFTXYHJXHK