BIIE0246

Ligand id: 1547

Name: BIIE0246

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 219.11
Molecular weight 895.45
XLogP 7.48
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-5-(diaminomethylideneamino)-N-[2-[3,5-dioxo-1,2-di(phenyl)-1,2,4-triazolidin-4-yl]ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][2]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide
Synonyms
BIIE 0246 | BIIE-0246
Database Links
CAS Registry No. 246146-55-4 (source: Scifinder)
ChEMBL Ligand CHEMBL540989
PubChem CID 9811493
Search Google for chemical match using the InChIKey RSJAXPUYVJKAAA-JPGJPTAESA-N
Search Google for chemicals with the same backbone RSJAXPUYVJKAAA
Search UniChem for chemical match using the InChIKey RSJAXPUYVJKAAA-JPGJPTAESA-N
Search UniChem for chemicals with the same backbone RSJAXPUYVJKAAA
Wikipedia BIIE-0246