General
Preferred name
ACETORPHINE
Synonyms
Acetylpropylorvinol ()
IDS-NA-001 ()
7.alpha.-etorphine 3-acetate ()
P&D ID
PD016326
CAS
25333-77-1
Tags
drug candidate
natural product
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
2
ChEMBL Drugs
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
453.25
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
7
Aromatic Ring Count
1
cLogP
3.38
TPSA
68.23
Fraction CSP3
0.67
Chiral centers
7.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
