General
Preferred name
PD020028
Synonyms
1-Methyl-2-(2,4,5-trimethoxy-phenyl)-ethylamine ()
2,4,5-Trimethoxyamphetamine ()
2,4,5-Trimethoxyamphetamine (hydrochloride) ()
P&D ID
PD020028
CAS
15995-72-9
22199-15-1
1083-09-6
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 ]]
Compound Sets
2
Ki Database
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
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
