General
Preferred name
PAROXYPROPIONE
Synonyms
Para-hydroxypropiophenone ()
4'-Hydroxypropiophenone ()
p-hydroxypropiophenone ()
Vanatone ()
Paroxypropione, p-hydroxypropiophenone ()
H-365 ()
H 365 ()
NSC-2834 ()
B-360 ()
P&D ID
PD000168
CAS
70-70-2
Tags
natural product
drug
available
Drug Status
approved
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
9
ChEMBL Drugs
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
150.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.98
TPSA
37.3
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Target
APE1
MOA
gonadotropin inhibitor
Source data
