General
Preferred name
VINBARBITAL
Synonyms
VINBARBITAL SODIUM [INJECTION] ()
Vinbarbital sodium free acid ()
Vinbarbitone ()
Butenemal ()
NSC-117442 ()
P&D ID
PD122332
CAS
125-42-8
Tags
drug candidate
natural product
Drug Status
experimental
withdrawn
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
16
Properties
(calculated by RDKit )
Molecular Weight
224.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
2.79
TPSA
82.25
Fraction CSP3
0.55
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
N05CA09
Toxicity type
respiratory
Source data
