General
Preferred name
BENDACORT
Synonyms
P&D ID
PD161895
CAS
53716-43-1
Tags
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
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
626.3
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
7
Aromatic Ring Count
3
cLogP
4.81
TPSA
127.95
Fraction CSP3
0.51
Chiral centers
7.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
