General
Preferred name
PENTHIOPYRAD
Synonyms
MTF-753 ()
P&D ID
PD063749
CAS
183675-82-3
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Penthiopyrad is a novel fungicide used in the protection of crops.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
BOC Sciences Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
359.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
4.9
TPSA
46.92
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
5.0
QED
0.83
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Fungal
Source data