General
Preferred name
BENOMYL
Synonyms
P&D ID
PD159695
CAS
17804-35-2
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 ]]
Cell lines
1
Organisms
0
Compound Sets
2
Cayman Chemical Bioactives
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
290.14
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.57
TPSA
85.25
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
