General
Preferred name
PD048304
Synonyms
3,4-dimethoxy-.alpha.-Pyrrolidinopentiophenone (hydrochloride) ()
P&D ID
PD048304
CAS
850351-99-4
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
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
291.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
1
cLogP
3.15
TPSA
38.77
Fraction CSP3
0.59
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
