General Information of the Compound
Compound ID
CP0402335
Compound Name
(1H-Imidazol-2-yl)-(5-methyl-quinoxalin-6-yl)-amine
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Structure
Formula
C12H11N5
Molecular Weight
225.255
Canonical SMILES
Cc1c(Nc2ncc[nH]2)ccc2nccnc12
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InChI
InChI=1S/C12H11N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-7H,1H3,(H2,15,16,17)
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InChIKey
AEWIKTWIKIWVNJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.40492
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
66.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 9794524
SID: 14749201
ChEMBL ID
CHEMBL75491
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 31 nM
   TI
   LI
   LO
   TS
Protein ID: PT03109, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 340 nM
   TI
   LI
   LO
   TS