General
Preferred name
SQUALANE
Synonyms
2,6,10,15,19,23-Hexamethyltetracosane ()
Perhydrosqualene, Dodecahydrosqualene ()
NSC-6851 ()
Pripure 3759 ()
P&D ID
PD013466
CAS
111-01-3
Tags
natural product
drug
available
Drug Status
experimental
approved
vet_approved
Drug indication
Pharmaceutic Aid (vehicle, oleaginous)
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
7
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
422.49
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
21
Ring Count
0
Aromatic Ring Count
0
cLogP
11.08
TPSA
0.0
Fraction CSP3
1.0
Chiral centers
4.0
Largest ring
0.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
