General
Preferred name
NEU5AC2EN
Synonyms
2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid ()
2,3-Dehydro-2-deoxy-N-acetylneuraminic acid ()
DANA ()
2-deoxy-2,3-dehydro-N-acetylneuraminic acid ()
N-acetyl-2,3-dehydro-2-Deoxyneuraminic Acid ()
P&D ID
PD057004
CAS
24967-27-9
Tags
available
drug candidate
Drug Status
experimental
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 ]]
Cell lines
0
Organisms
2
Compound Sets
5
Cayman Chemical Bioactives
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
291.1
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.07
TPSA
156.55
Fraction CSP3
0.64
Chiral centers
5.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Influenza Virus
Pathway
Anti-infection
Source data
