NNC55-0396

Ligand id: 4269

Name: NNC55-0396

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 58.22
Molecular weight 491.29
XLogP 7.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate
Synonyms
NNC 55-0396
Database Links
CAS Registry No. 357400-14-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1551597
PubChem CID 9957280
Search Google for chemical match using the InChIKey VHHVPDKNKPNKHY-JDXGNMNLSA-N
Search Google for chemicals with the same backbone VHHVPDKNKPNKHY
Search UniChem for chemical match using the InChIKey VHHVPDKNKPNKHY-JDXGNMNLSA-N
Search UniChem for chemicals with the same backbone VHHVPDKNKPNKHY