General Information of the Compound
Compound ID
CP0373125
Compound Name
2-(4-methylpiperazin-1-yl)-3-(pyridin-4-ylmethoxy)quinoxaline
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Structure
Formula
C19H21N5O
Molecular Weight
335.411
Canonical SMILES
CN1CCN(CC1)c1nc2ccccc2nc1OCc1ccncc1
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InChI
InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-19(25-14-15-6-8-20-9-7-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-14H2,1H3
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InChIKey
NOEMOGZOFWZIBQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3556
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
54.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 24853593
SID: 50082805
ChEMBL ID
CHEMBL259956
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 = 4365.16 nM
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