General
Preferred name
PYRITHYLDIONE
Synonyms
3,3-Diethyltetrahydropyridin-2,4-dione ()
NSC-89733 ()
P&D ID
PD001083
CAS
77-04-3
Tags
natural product
drug
available
Drug Status
experimental
approved
withdrawn
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
12
Cayman Chemical Bioactives
34528
ChEMBL Drugs
CHEMBL1722501
Drug Repurposing Hub
DrugBank
DB13331
DrugCentral
3509
DrugCentral Approved Drugs
3509
DrugMatrix
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
The Spectrum Collection
Withdrawn 2.0
w232
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
167.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
0
cLogP
1.01
TPSA
46.17
Fraction CSP3
0.56
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
psychoactive drug
ATC
N05CE03
Toxicity type
multiple
Source data