General
Preferred name
OXAPIUM
Synonyms
Oxapium iodide ()
S109 ()
Oxapium cation ()
Oxapium ion ()
Cyclonium ()
SH-100 ()
SH 100 ()
Espalexan ()
Cyclonium Iodide ()
P&D ID
PD013781
CAS
17834-29-6
6577-41-9
Tags
drug candidate
Drug indication
Solid tumour/cancer
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
344.26
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
1
cLogP
4.47
TPSA
18.46
Fraction CSP3
0.73
Chiral centers
2.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
