General Information of the Compound
Compound ID
CP0381549
Compound Name
4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxybenzamide
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Structure
Formula
C22H21N5O4
Molecular Weight
419.441
Canonical SMILES
COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(C(N)=O)c(OC)c2)cc1OC
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InChI
InChI=1S/C22H21N5O4/c1-29-17-7-5-14(11-19(17)31-3)25-21-22-24-8-9-27(22)12-16(26-21)13-4-6-15(20(23)28)18(10-13)30-2/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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InChIKey
OMQFQYBXJFOJGI-UHFFFAOYSA-N
Physicochemical Property
logP
3.2646
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
113
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 44188391
SID: 85184031
ChEMBL ID
CHEMBL3265014
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 = 251 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 23.8 nM