General
Preferred name
(E/Z)-ANTIEPILEPSIRINE
Synonyms
1-(3-(1,3-Benzodioxol-5-yl)-1-oxo-2-propenyl)-piperidine ()
P&D ID
PD013652
CAS
23434-86-8
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 ]]
Compound Sets
2
Enamine BioReference Compounds
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
259.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
2.44
TPSA
38.77
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
