General Information of the Compound
Compound ID
CP0399157
Compound Name
N-(3,4-dimethoxyphenyl)-6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C22H19N5O2
Molecular Weight
385.427
Canonical SMILES
COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cc[nH]c3c2)cc1OC
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InChI
InChI=1S/C22H19N5O2/c1-28-19-6-5-16(12-20(19)29-2)25-21-22-24-9-10-27(22)13-18(26-21)15-4-3-14-7-8-23-17(14)11-15/h3-13,23H,1-2H3,(H,25,26)
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InChIKey
GTZLOTKHWGWBMF-UHFFFAOYSA-N
Physicochemical Property
logP
4.6384
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
76.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 59473266
ChEMBL ID
CHEMBL3265016
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
EC50 = 94 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.7 nM