General
Preferred name
ALLOBARBITAL
Synonyms
Alobarbital ()
NSC-9324 ()
Diallylbarbituric Acid ()
Diallymal ()
Allobarbitone ()
P&D ID
PD073641
CAS
52-43-7
Tags
available
drug
Drug Status
approved
experimental
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
7
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
208.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
0.49
TPSA
75.27
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
