General
Preferred name
OCTRIZOLE
Synonyms
Octrizolum ()
Octrizol ()
Bisoctrizole related compound a ()
P&D ID
PD014491
CAS
108021-89-2
3147-75-9
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
323.2
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
4.84
TPSA
50.94
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
