General Information of the Compound
Compound ID
CP0059937
Compound Name
N-(5-bromoquinoxalin-6-yl)-4,5-dihydro-1,3-oxazol-2-amine
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Structure
Formula
C11H9BrN4O
Molecular Weight
293.124
Canonical SMILES
Brc1c(NC2=NCCO2)ccc2nccnc12
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InChI
InChI=1S/C11H9BrN4O/c12-9-7(16-11-15-5-6-17-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H,15,16)
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InChIKey
HBHGSUXQIQVLPX-UHFFFAOYSA-N
Physicochemical Property
logP
2.1904
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
59.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 44312198
ChEMBL ID
CHEMBL73164
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: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000392 Y1 Mus musculus (Mouse)  1
1
Ki = 85113.8 nM
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