General Information of the Compound
Compound ID
CP0435035
Compound Name
6,7-dichloro-2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline
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Structure
Formula
C19H18Cl2N4O
Molecular Weight
389.286
Canonical SMILES
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccccc1
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InChI
InChI=1S/C19H18Cl2N4O/c1-24-7-9-25(10-8-24)18-19(26-13-5-3-2-4-6-13)23-17-12-15(21)14(20)11-16(17)22-18/h2-6,11-12H,7-10H2,1H3
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InChIKey
XLGPHHSMFXDBGO-UHFFFAOYSA-N
Physicochemical Property
logP
4.4807
Rotatable Bonds
3
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: 24853664
SID: 50082892
ChEMBL ID
CHEMBL261517
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 = 1174.9 nM
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