General
Preferred name
BUTOPYRONOXYL
Synonyms
Dihydropyrone ()
NSC-404420 ()
P&D ID
PD000111
CAS
1341-44-2
532-34-3
Tags
available
drug candidate
Drug indication
Hepatovirus infection
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
4
ChEMBL Drugs
DrugMAP
MedChem Express Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
226.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
1.98
TPSA
52.6
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
