General
Preferred name
NSC86467
Synonyms
P&D ID
PD060721
CAS
1428-66-6
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 ]]
Compound Sets
1
Bioprocess diversity set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
328.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
1
cLogP
3.58
TPSA
63.6
Fraction CSP3
0.6
Chiral centers
4.0
Largest ring
6.0
QED
0.92
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Biological process
Metabolism & fatty acid biosynthesis
Source data
