General
Preferred name
AS99
Synonyms
P&D ID
PD048542
Tags
drug candidate
Drug indication
Discovery agent
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()] ]]
Description
(extracted from source data)
DESCRIPTION
The tautomeric structure shown here is replicated from and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 10217693.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Molecular Weight
493.24
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
2.74
TPSA
128.83
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
