General
Preferred name
MRKI-28
Synonyms
P&D ID
PD024277
CAS
53-85-0
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 ]]
Compound Sets
1
EUbOPEN Chemogenomics Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
318.02
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
0.95
TPSA
87.74
Fraction CSP3
0.42
Chiral centers
4.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Recommended Cell Concentration
None
Source data
