General
Preferred name
PMID17888661C18
Synonyms
compound 18 [PMID: 17888661] ()
P&D ID
PD048856
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
180.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
2.47
TPSA
29.46
Fraction CSP3
1.0
Chiral centers
1.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
