General
Preferred name
PD124050
Synonyms
Benzyldimethylstearylammonium Chloride Hydrate ()
P&D ID
PD124050
CAS
37612-69-4
50957-62-5
122-19-0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
1
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
388.39
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
19
Ring Count
1
Aromatic Ring Count
1
cLogP
8.52
TPSA
0.0
Fraction CSP3
0.78
Chiral centers
0.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
