General
Preferred name
CANTHIN-6-ONE
Synonyms
NSC-103003 ()
P&D ID
PD166549
CAS
479-43-6
Tags
natural product
available
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
4
Organisms
0
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
220.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
4
cLogP
2.44
TPSA
34.37
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.46
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data
