General Information of the Compound
Compound ID
CP0125453
Compound Name
6-(6-aminopyridin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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Structure
Formula
C24H26N8O
Molecular Weight
442.527
Canonical SMILES
Nc1cccc(n1)-c1cn2ccnc2c(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1
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InChI
InChI=1S/C24H26N8O/c25-22-3-1-2-20(28-22)21-14-32-9-8-26-24(32)23(29-21)27-17-4-6-18(7-5-17)30-10-12-31(13-11-30)19-15-33-16-19/h1-9,14,19H,10-13,15-16H2,(H2,25,28)(H,27,29)
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InChIKey
MSRIVTNRWJMTIC-UHFFFAOYSA-N
Physicochemical Property
logP
2.6379
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
96.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
33

"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: 156017090
ChEMBL ID
CHEMBL4641986
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 = 268 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 44.3 nM