General
Preferred name
MAREIN
Synonyms
P&D ID
PD156362
CAS
535-96-6
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
450.12
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.42
TPSA
197.37
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Epigenetics
PI3K/Akt/mTOR
Target
AMPK
HDAC
Source data
