General Information of the Compound
Compound ID
CP0373124
Compound Name
2-[(4-methylphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
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Structure
Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccc(C)cc1
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InChI
InChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-26-21-20(25-13-11-24(2)12-14-25)22-18-5-3-4-6-19(18)23-21/h3-10H,11-15H2,1-2H3
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InChIKey
RWWSYZFWBKIOPV-UHFFFAOYSA-N
Physicochemical Property
logP
3.26902
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 24853594
SID: 50082806
ChEMBL ID
CHEMBL260470
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 = 1380.38 nM
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