General
Preferred name
DOET
Synonyms
DOET,(-) ()
1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine ()
2,5-Dimethoxy-4-ethylamphetamine ()
DOET (exempt preparation) ()
P&D ID
PD008847
CAS
15588-95-1
22004-32-6
22139-65-7
53581-54-7
Tags
available
drug candidate
Drug indication
Discovery agent
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 ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
223.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
2.16
TPSA
44.48
Fraction CSP3
0.54
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
