General
Preferred name
Brodimoprim-4,6-Dicarboxylate
Synonyms
P&D ID
PD007622
Tags
drug candidate
Drug indication
Discovery agent
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
495.09
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
12
Ring Count
2
Aromatic Ring Count
2
cLogP
-0.52
TPSA
177.79
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
