General
Preferred name
PD131730
Synonyms
2,3-dichloro-5,6-dicyanobenzoquinone ()
P&D ID
PD131730
CAS
84-58-2
Tags
available
drug candidate
Drug Status
experimental
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
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
225.93
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
1.17
TPSA
81.72
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
2
ene_one_hal(17)
[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]
PAINS Family B
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
