Ligand Id: 1340
Ligand name MCL0129

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

Summary Biological activity References Structure Similar ligands
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
1-[(1S)-1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl] piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine tetrahydrochloride
1-[(S)-2-(4-fluorophenyl)-2-(4-isopropylpiperadin-1-yl)ethyl]-4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazine
MCL-0129
Database Links
ChEMBL Ligand 423523, 627739
PubChem CID 6918687
Search on ChemSpider SLGLZEJKMBCODK-MGBGTMOVSA-N
ZINC ZINC22453554

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org