General
Preferred name
IMAZAQUIN
Synonyms
2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid ()
P&D ID
PD039691
CAS
81335-37-7
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 ]]
Compound Sets
1
CZ-OPENSCREEN Bioactive Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
311.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
2.22
TPSA
91.65
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.91
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
