General
Preferred name
VIOLACEIN
Synonyms
P&D ID
PD121736
CAS
548-54-9
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 ]]
Cell lines
7
Organisms
2
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
343.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
3
cLogP
2.75
TPSA
94.22
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
1
ene_five_het_C(85)
[#6]-1(-[#6](-[#6]=[#6]-[!#6&!#1]-1)=[#6])=[!#6&!#1]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Source data
