General
Preferred name
CPD000058866
Synonyms
P&D ID
PD002944
Tags
natural product
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
1
Compound Sets
2
Bioprocess diversity set
NIH Clinical Collections (NCC)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
322.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
3.29
TPSA
86.99
Fraction CSP3
0.61
Chiral centers
2.0
Largest ring
14.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Biological process
Glycosylation & protein folding/targeting, cell wall biogenesis
Source data
