General Information of the Compound
Compound ID
CP0382688
Compound Name
3-hexylimidazo[1,2-a]pyrazin-8-amine
    Show/Hide
Structure
Formula
C12H18N4
Molecular Weight
218.304
Canonical SMILES
CCCCCCc1cnc2c(N)nccn12
    Show/Hide
InChI
InChI=1S/C12H18N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-6H2,1H3,(H2,13,14)
    Show/Hide
InChIKey
QKRFCSVGKPSUGR-UHFFFAOYSA-N
Physicochemical Property
logP
2.4343
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
56.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155529356
ChEMBL ID
CHEMBL4462477
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
IC50 = 84000 nM
   TI
   LI
   LO
   TS