General
Preferred name
etomoxir
Synonyms
Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester- ()
Rac-Etomoxir Ethyl Ester ()
Rac-Etomoxir ()
P&D ID
PD002934
CAS
82258-36-4
86946-91-0
Tags
natural product
available
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
2
Organisms
0
Compound Sets
3
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
326.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
1
cLogP
4.0
TPSA
48.06
Fraction CSP3
0.59
Chiral centers
1.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
