General
Preferred name
Ascr#3
Synonyms
P&D ID
PD165379
CAS
946524-26-1
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 ]]
Cell lines
0
Organisms
1
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
302.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
0
cLogP
1.45
TPSA
96.22
Fraction CSP3
0.8
Chiral centers
5.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
