General
Preferred name
BUTONATE
Synonyms
Trichlorfon butanoic acid ester ()
ENT-20852 ()
NSC-17872 ()
P&D ID
PD014455
CAS
126-22-7
Tags
available
drug
Drug Status
experimental
approved
vet_approved
Drug indication
Anthelmintic
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
4
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
325.96
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
3.51
TPSA
61.83
Fraction CSP3
0.88
Chiral centers
1.0
Largest ring
0.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
