General Information of the Compound
Compound ID
CP0400235
Compound Name
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
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Structure
Formula
C23H23N5O3
Molecular Weight
417.469
Canonical SMILES
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)N(C)C)cc1OC
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InChI
InChI=1S/C23H23N5O3/c1-27(2)23(29)16-7-5-6-15(12-16)18-14-28-11-10-24-22(28)21(26-18)25-17-8-9-19(30-3)20(13-17)31-4/h5-14H,1-4H3,(H,25,26)
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InChIKey
FOMUFQFGUVZEOF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8589
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
80.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 44188382
SID: 85184022
ChEMBL ID
CHEMBL3265007
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 = 615 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 112 nM