General
Preferred name
detajmium
Synonyms
P&D ID
PD072676
CAS
47719-70-0
Tags
drug
Drug Status
approved
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
456.32
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
1
cLogP
1.77
TPSA
67.17
Fraction CSP3
0.78
Chiral centers
11.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
