General
Preferred name
PD059445
Synonyms
(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium ()
P&D ID
PD059445
Tags
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 ]]
Compound Sets
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
297.1
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
1
cLogP
-1.84
TPSA
115.11
Fraction CSP3
0.5
Chiral centers
4.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
