General Information of the Compound
Compound ID
CP0507915
Compound Name
6,7-dichloro-2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
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Structure
Formula
C14H16Cl2N4O
Molecular Weight
327.215
Canonical SMILES
COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
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InChI
InChI=1S/C14H16Cl2N4O/c1-19-3-5-20(6-4-19)13-14(21-2)18-12-8-10(16)9(15)7-11(12)17-13/h7-8H,3-6H2,1-2H3
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InChIKey
VFAWPRYTYHKGPZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.697
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
41.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 23649429
SID: 46521020
ChEMBL ID
CHEMBL261224
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 = 57.54 nM
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