General
Preferred name
WAY-278788
Synonyms
P&D ID
PD122536
CAS
956809-39-5
Tags
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 ]]
Compound Sets
1
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
341.02
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
3.79
TPSA
57.61
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
1
ene_rhod_A(235)
[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Target
JSP-1
Source data
