MRK-1

Ligand id: 3651

Name: MRK-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 61.6
Molecular weight 574.37
XLogP 8.92
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[[(1R,3S,4S)-3-[[4-[2-ethyl-5-(phenylmethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
Synonyms
CMPD 167 | L167
Database Links
CAS Registry No. 313994-79-5 (source: Scifinder)
ChEMBL Ligand CHEMBL3182547
PubChem CID 5481119
Search Google for chemical match using the InChIKey ZTENZJJCFACIAK-ADWVOTLJSA-N
Search Google for chemicals with the same backbone ZTENZJJCFACIAK
Search UniChem for chemical match using the InChIKey ZTENZJJCFACIAK-ADWVOTLJSA-N
Search UniChem for chemicals with the same backbone ZTENZJJCFACIAK