General
Preferred name
PD008814
Synonyms
3,4,5-Trimethoxyamphetamine ()
3,4,5-Trimethoxyamphetamine (hydrochloride) ()
3,4,5-Trimethoxyamphetamine (hydrochloride) (exempt preparation) ()
P&D ID
PD008814
CAS
22199-17-3
1082-88-8
5688-80-2
Tags
available
drug candidate
Drug Status
experimental
illicit
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
225.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
1.6
TPSA
53.71
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
