General
Preferred name
PD166502
Synonyms
P&D ID
PD166502
CAS
12236-73-6
5567-15-7
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
816.1
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
2
Rotatable Bonds
15
Ring Count
4
Aromatic Ring Count
4
cLogP
9.36
TPSA
178.7
Fraction CSP3
0.22
Chiral centers
2.0
Largest ring
6.0
QED
0.09
Structural alerts
1
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
