General
Preferred name
PMID18072721C50
Synonyms
compound 50 [PMID: 18072721] ()
P&D ID
PD047419
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
524.26
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
12
Ring Count
3
Aromatic Ring Count
3
cLogP
3.15
TPSA
118.72
Fraction CSP3
0.41
Chiral centers
3.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
