General
Preferred name
PMID7932551C9
Synonyms
compound 9 [PMID: 7932551] ()
P&D ID
PD050104
Tags
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 ]]
Cell lines
1
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
518.36
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
0
cLogP
5.42
TPSA
93.06
Fraction CSP3
0.94
Chiral centers
12.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
