General
Preferred name
DIACETOLOL
Synonyms
Diacetolol hydrochloride ()
Acebutolol related compound b ()
M&B 16942A ()
NSC-326057 ()
Diacetolol hcl ()
EU-4891 ()
P&D ID
PD074828
CAS
28197-69-5
22568-64-5
73899-76-0
Tags
available
drug candidate
Drug indication
Anti-Adrenergic (beta-receptor)
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
24
Properties
(calculated by RDKit )
Molecular Weight
308.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
1.59
TPSA
87.66
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
