General
Preferred name
PMID2153213C1a
Synonyms
compound 1a [PMID: 2153213] ()
P&D ID
PD048421
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
4
Properties
(calculated by RDKit )
Molecular Weight
408.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
2.86
TPSA
85.52
Fraction CSP3
0.21
Chiral centers
2.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
