General
Preferred name
PD043928
Synonyms
2pyrrolidin-1-yl-1-phenylpentan-1-one ()
.alpha.-Pyrrolidinopentiophenone (hydrochloride) ()
.alpha.-Pyrrolidinopentiophenone-d8 (hydrochloride) ()
?-Pyrrolidinopentiophenone-d8 (hydrochloride) (CRM) ()
?-Pyrrolidinopentiophenone (hydrochloride) (CRM) ()
P&D ID
PD043928
CAS
14530-33-7
5485-65-4
1781744-06-6
Tags
drug candidate
available
Drug indication
Discovery agent
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
231.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
3.13
TPSA
20.31
Fraction CSP3
0.53
Chiral centers
1.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
