General Information of the Compound
Compound ID
CP0437170
Compound Name
2-(4-methylpiperazin-1-yl)-3-phenylquinoxaline
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Structure
Formula
C19H20N4
Molecular Weight
304.397
Canonical SMILES
CN1CCN(CC1)c1nc2ccccc2nc1-c1ccccc1
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InChI
InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-18(15-7-3-2-4-8-15)20-16-9-5-6-10-17(16)21-19/h2-10H,11-14H2,1H3
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InChIKey
ZCRSLWUQQYTFBE-UHFFFAOYSA-N
Physicochemical Property
logP
3.0486
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
32.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 24854583
SID: 50083827
ChEMBL ID
CHEMBL260372
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 = 10232.93 nM
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