General
Preferred name
WITHANONE
Synonyms
P&D ID
PD150471
CAS
27570-38-3
Tags
available
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
2
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
470.27
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
6
Aromatic Ring Count
0
cLogP
3.5
TPSA
96.36
Fraction CSP3
0.79
Chiral centers
11.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
iGluR
Source data
