General Information of the Compound
Compound ID
CP0507919
Compound Name
2-(4-methylpiperazin-1-yl)-3-pyridin-3-yloxyquinoxaline
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Structure
Formula
C18H19N5O
Molecular Weight
321.384
Canonical SMILES
CN1CCN(CC1)c1nc2ccccc2nc1Oc1cccnc1
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InChI
InChI=1S/C18H19N5O/c1-22-9-11-23(12-10-22)17-18(24-14-5-4-8-19-13-14)21-16-7-3-2-6-15(16)20-17/h2-8,13H,9-12H2,1H3
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InChIKey
WUDOQQSYJBSCNN-UHFFFAOYSA-N
Physicochemical Property
logP
2.5689
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 24854705
SID: 50083974
ChEMBL ID
CHEMBL260274
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 1288.25 nM
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