General
Preferred name
PMID23083103C4
Synonyms
compound 4 [PMID: 23083103] ()
P&D ID
PD047876
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
899.98
Hydrogen Bond Acceptors
24
Hydrogen Bond Donors
10
Rotatable Bonds
14
Ring Count
6
Aromatic Ring Count
4
cLogP
0.1
TPSA
384.28
Fraction CSP3
0.52
Chiral centers
13.0
Largest ring
6.0
QED
0.05
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
