General
Preferred name
Bischloroanthrabenzoxocinone
Synonyms
P&D ID
PD016971
CAS
866022-28-8
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
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
542.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
6
Aromatic Ring Count
3
cLogP
6.07
TPSA
105.45
Fraction CSP3
0.32
Chiral centers
2.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
