General
Preferred name
PMID18800762C14
Synonyms
compound 14 [PMID: 18800762] ()
P&D ID
PD050079
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
7
Properties
(calculated by RDKit )
Molecular Weight
437.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
14
Ring Count
1
Aromatic Ring Count
1
cLogP
2.62
TPSA
131.0
Fraction CSP3
0.72
Chiral centers
2.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
