General
Preferred name
OSM-S-446
Synonyms
4-fluoro BZP (hydrochloride) ()
1-[(4-Fluorophenyl)methyl]piperazine dihydrochloride ()
P&D ID
PD097047
CAS
70931-28-1
199672-06-5
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
1-(4-Fluorobenzyl)piperazine has inhibitory activity against human sarcoma MES-SA/DX5 cells, inhibiting Multidrug resistance protein 1 with IC50= 880 nM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Molecular Weight
194.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
1.23
TPSA
15.27
Fraction CSP3
0.45
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
