General
Preferred name
BOSCALID
Synonyms
Endura ()
Bas 510 ()
Bas-510 ()
Nicobifen ()
Emerald ()
BAS 510 F ()
P&D ID
PD058464
CAS
188425-85-6
54494-12-1
Tags
natural product
drug
available
Drug Status
experimental
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 ]]
Cell lines
0
Organisms
2
Compound Sets
5
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
342.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
5.31
TPSA
41.99
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Fungal
Source data
