General
Preferred name
PD084803
Synonyms
2-(4-Methylpiperazinyl)-quinoxaline ()
P&D ID
PD084803
CAS
195711-46-7
Tags
probe
Probe info
Probe type
P&D approved
calculated probe
Probe selectivity
protein-selective
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2-(4-Methylpiperazinyl)-quinoxaline is a 5-hydroxytryptamine receptor inhibitor, also exhibits binding affinity to histamine H4 receptor. (Enamine Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
2
Enamine Bioactive Compounds
Probe Miner (suitable probes)
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
228.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.38
TPSA
32.26
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data