General
Preferred name
E122
Synonyms
Azo Rubine ()
AZORUBINE ()
P&D ID
PD124102
CAS
3567-69-9
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
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
501.99
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
-2.07
TPSA
159.35
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.19
Structural alerts
1
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
