General
Preferred name
Benzododecinium chloride
Synonyms
Lauralkonium chloride ()
NSC 85508 ()
NSC85508 ()
NSC-85508 ()
P&D ID
PD159070
CAS
139-07-1
107397-84-2
8001-54-5
61789-71-7
Tags
available
drug candidate
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 ]]
Compound Sets
2
ChEMBL Drugs
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
339.27
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
13
Ring Count
1
Aromatic Ring Count
1
cLogP
3.19
TPSA
0.0
Fraction CSP3
0.71
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
