General
Preferred name
OCTABENZONE
Synonyms
Benzophenone-12 ()
NSC-163400 ()
Octabenzona ()
P&D ID
PD014560
CAS
103843-15-8
1843-05-6
Tags
available
drug
Drug Status
approved
investigational
Max Phase
2.0
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
5
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
326.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
5.36
TPSA
46.53
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
