General Information of the Compound
Compound ID
CP0382687
Compound Name
3-(3-methoxyprop-1-ynyl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C10H10N4O
Molecular Weight
202.217
Canonical SMILES
COCC#Cc1cnc2c(N)nccn12
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InChI
InChI=1S/C10H10N4O/c1-15-6-2-3-8-7-13-10-9(11)12-4-5-14(8)10/h4-5,7H,6H2,1H3,(H2,11,12)
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InChIKey
FPEFQCYVCPWIFA-UHFFFAOYSA-N
Physicochemical Property
logP
0.3094
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
65.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 155536360
ChEMBL ID
CHEMBL4473255
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 = 23500 nM
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