General
Preferred name
duloxetine
Synonyms
DULOXETINE OXALATE ()
DULOXETINE HYDROCHLORIDE ()
Duloxetine-d3 (hydrochloride) ()
P&D ID
PD075196
CAS
116539-58-3
1188266-11-6
Tags
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
5
Cayman Chemical Bioactives
DrugMatrix
Ki Database
Other bioactive compounds
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
297.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
4.63
TPSA
21.26
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
