MCL0129

Ligand id: 1340

Name: MCL0129

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 22.19
Molecular weight 546.37
XLogP 7.35
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(1S)-1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
Synonyms
MCL-0129 | TCMDC-134847
Database Links
CAS Registry No. 768357-45-5 (source: Scifinder)
PubChem CID 6918688
Search Google for chemical match using the InChIKey SLGLZEJKMBCODK-MGBGTMOVSA-N
Search Google for chemicals with the same backbone SLGLZEJKMBCODK
Search UniChem for chemical match using the InChIKey SLGLZEJKMBCODK-MGBGTMOVSA-N
Search UniChem for chemicals with the same backbone SLGLZEJKMBCODK
Comments
This compound is represented on ChEMBL without specified stereochemistry by CHEMBL362985.