General
Preferred name
Octan-2-yl 2-cyanoacrylate
Synonyms
2-octyl cyanoacrylate ()
Dermabond ()
P&D ID
PD058728
CAS
133978-15-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
Phase 3
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
209.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
0
Aromatic Ring Count
0
cLogP
2.97
TPSA
50.09
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
