General
Preferred name
SQ-29548
Synonyms
[3H]SQ-29548 ()
P&D ID
PD048692
CAS
98299-61-7
Tags
available
drug candidate
Drug indication
Discovery agent
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
387.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
1
cLogP
3.31
TPSA
99.69
Fraction CSP3
0.52
Chiral centers
4.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
