General
Preferred name
CGS-47645
Synonyms
P&D ID
PD129410
CAS
143030-47-1
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
2
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
303.09
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.74
TPSA
78.29
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Aromatase Inhibitors
Source data
