General
Preferred name
Cholesteryl Linoleate
Synonyms
Cholesteryl Linoleate-d11 ()
P&D ID
PD060145
CAS
100339-48-8
604-33-1
Tags
drug candidate
natural product
available
Drug Status
experimental
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
3
DrugBank
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
648.58
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
20
Ring Count
4
Aromatic Ring Count
0
cLogP
13.75
TPSA
26.3
Fraction CSP3
0.84
Chiral centers
8.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
