General
Preferred name
PMID7629799C2e
Synonyms
compound 2e [PMID: 7629799] ()
P&D ID
PD048877
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
9
Properties
(calculated by RDKit )
Molecular Weight
368.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
0
Aromatic Ring Count
0
cLogP
4.31
TPSA
115.06
Fraction CSP3
0.73
Chiral centers
0.0
Largest ring
0.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
